Geometry & MOs

Info

ID:	327114
PubChem CID:	126689027
Reduced:	NOC5H9 (2)
Stoich.:	ABC5D9 (2)
Weight, g/mol:	508.219844
ΔH_f, kcal/mol:	-88.58
Dipole, Da:	6.33
IP(EA), eV:	-8.52(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(1H-pyrrol-3-yl)methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C=CN(C1C(=O)O)C(C)C

DOS

IR

Vibrations