Geometry & MOs

Info

ID:	156516
PubChem CID:	56370948
Reduced:	N3O5C24H33 (1)
Stoich.:	A3B5C24D33 (1)
Weight, g/mol:	451.177503
ΔH_f, kcal/mol:	-183.17
Dipole, Da:	2.88
IP(EA), eV:	-8.16(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)N2CCCCC2CCC3=CC(=C(C=C3)OC)OC)C4CC4

DOS

IR

Vibrations