Geometry & MOs

Info

ID:	192281
PubChem CID:	78252299
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	419.05075
ΔH_f, kcal/mol:	-39.82
Dipole, Da:	6.55
IP(EA), eV:	-8.38(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-bromophenyl)-1,1-dicyano-2,3,4,10b-tetrahydropyrrolo[2,1-a]isoquinolin-4-ium-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=[N+]3CC(CN(C3=NC2=[N+](C1=O)C)C4=CC=C(C=C4)C)C

DOS

IR

Vibrations