Geometry & MOs

Info

ID:	326764
PubChem CID:	126688155
Reduced:	FN2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	516.213696
ΔH_f, kcal/mol:	-17.53
Dipole, Da:	2.66
IP(EA), eV:	-8.03(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-phenylprop-1-enyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCN(C1=CC(=C(C=C1)F)N)C2=CC=CC(=C2)C

DOS

IR

Vibrations