Geometry & MOs

Info

ID:	383142
PubChem CID:	134974703
Reduced:	O2N4H25C26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	411.182101
ΔH_f, kcal/mol:	19.94
Dipole, Da:	2.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.793678
Charge, e:	1

Chem-info

IUPAC name:

1-benzyl-1',3-dimethyl-3'-phenylspiro[imidazol-1-ium-4,4'-quinazoline]-2,2'-dione

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3(C=[N+](C(=O)N3C)CC4=CC=CC=C4)N(C1=O)CC5=CC=CC=C5

DOS

IR

Vibrations