Geometry & MOs

Info

ID:	321347
PubChem CID:	126665846
Reduced:	O4C9H10 (1)
Stoich.:	A4B9C10 (1)
Weight, g/mol:	523.21951
ΔH_f, kcal/mol:	-130.6
Dipole, Da:	3.66
IP(EA), eV:	-10.38(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-[(3-hydroxypropylamino)-phenylmethyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(OCC1=O)C2CC2

DOS

IR

Vibrations