Geometry & MOs

Info

ID:	245112
PubChem CID:	99437512
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	415.128054
ΔH_f, kcal/mol:	-102.73
Dipole, Da:	9.38
IP(EA), eV:	-8.74(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-2-cyclopropyl-1,3-dioxoisoindole-5-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)CC2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)N4CCCC4=O)C(=O)N

DOS

IR

Vibrations