Geometry & MOs

Info

ID:	156576
PubChem CID:	56371221
Reduced:	N4O4C25H34 (1)
Stoich.:	A4B4C25D34 (1)
Weight, g/mol:	493.247775
ΔH_f, kcal/mol:	-188.18
Dipole, Da:	1.98
IP(EA), eV:	-8.09(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]-1,3-diphenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)CCN3C(=O)C4CCCCC4C3=O

DOS

IR

Vibrations