Geometry & MOs

Info

ID:	156373
PubChem CID:	56370317
Reduced:	BrN3O3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	462.237939
ΔH_f, kcal/mol:	-90.95
Dipole, Da:	3.74
IP(EA), eV:	-8.03(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C(OC(=C1)Br)C(=O)NC(C)CC(=O)NC2=CC(=CC=C2)N3CCCC3

DOS

IR

Vibrations