Geometry & MOs

Info

ID:	361117
PubChem CID:	127302033
Reduced:	O2N5C18H27 (1)
Stoich.:	A2B5C18D27 (1)
Weight, g/mol:	318.205576
ΔH_f, kcal/mol:	-60.17
Dipole, Da:	2.18
IP(EA), eV:	-8.54(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N(C1=O)CC(=O)NCC3CN(CCN3C)C

DOS

IR

Vibrations