Geometry & MOs

Info

ID:

321253

PubChem CID:

126665602

Reduced:

O3N5F6H27C31 (1)

Stoich.:

A3B5C6D27E31 (1)

Weight, g/mol:

619.255895

ΔHf, kcal/mol:

-314.47

Dipole, Da:

3.81

IP(EA), eV:

 -9.4(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-[[cyclopropyl(methyl)amino]-phenanthren-9-ylmethyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1CNC(C2=CC(=CC=C2)C(F)(F)F)C3=CC(=CC=C3)NC(=O)C4=CC(=NN4C5=CC=CC(=C5)CNC(=O)O)C(F)(F)F

DOS

IR

Vibrations