Geometry & MOs

Info

ID:	233440
PubChem CID:	90944492
Reduced:	O4N5H24C26 (1)
Stoich.:	A4B5C24D26 (1)
Weight, g/mol:	298.168128
ΔH_f, kcal/mol:	78.41
Dipole, Da:	5.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.067929
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-1-(3,3-dimethylbutyl)-2,4-dioxopyrrolidine-3-carbonitrile

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NC2=C3C=CC4=C2C5=CC=CC=C5C(C(=O)N4[N+](N1)(C(=O)N3O)CC6=CC=CC=C6)C

DOS

IR

Vibrations