Geometry & MOs

Info

ID:	62347
PubChem CID:	26719415
Reduced:	O3N5H13C16 (1)
Stoich.:	A3B5C13D16 (1)
Weight, g/mol:	465.229051
ΔH_f, kcal/mol:	62.93
Dipole, Da:	9.59
IP(EA), eV:	-9.42(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

Drug info:

PubChemData

Smile

CC1=NN(N=C1C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations