Geometry & MOs

Info

ID:

321364

PubChem CID:

126665888

Reduced:

F3N4O4H21C24 (1)

Stoich.:

A3B4C4D21E24 (1)

Weight, g/mol:

669.292675

ΔHf, kcal/mol:

-199.39

Dipole, Da:

2.28

IP(EA), eV:

 -8.55(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[[2-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]phenyl]-naphthalen-1-ylmethyl]-N-(cyclopropylmethyl)carbamate

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2C3=C(C=CC(=C3)NC(=O)C)OC)[C@H](C)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations