Geometry & MOs

Info

ID:	364380
PubChem CID:	127315557
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	-76.81
Dipole, Da:	5.55
IP(EA), eV:	-8.45(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3H-benzo[e]indole-2-carbonyl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations