Geometry & MOs

Info

ID:	321315
PubChem CID:	126665781
Reduced:	N2C17H18 (1)
Stoich.:	A2B17C18 (1)
Weight, g/mol:	569.240245
ΔH_f, kcal/mol:	75.26
Dipole, Da:	1.82
IP(EA), eV:	-8.57(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-naphthalen-2-ylmethyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1C/C=C(\C2=CC(=CC=C2)N)/C3=CN=CC=C3

DOS

IR

Vibrations