Geometry & MOs

Info

ID:	364386
PubChem CID:	127315563
Reduced:	O3N5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-93.31
Dipole, Da:	2.48
IP(EA), eV:	-8.68(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylpiperazin-1-yl)-[1-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

CNC(=O)C1=NC=C(C=C1)C(=O)N2CCCC2C(=O)N3CCN(CC3)C

DOS

IR

Vibrations