Geometry & MOs

Info

ID:

321423

PubChem CID:

126665993

Reduced:

F4N4O4H18C23 (1)

Stoich.:

A4B4C4D18E23 (1)

Weight, g/mol:

582.236637

ΔHf, kcal/mol:

-242.83

Dipole, Da:

7.71

IP(EA), eV:

 -9.14(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[6-[(4-carbamoylphenyl)-(cyclopropylmethylamino)methyl]-6-fluorocyclohexa-2,4-dien-1-yl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2C3=CC(=C(C=C3)F)NC(=O)C)CC4=CC(=C(C=C4)OC)C(F)(F)F

DOS

IR

Vibrations