Geometry & MOs

Info

ID:	355677
PubChem CID:	127289658
Reduced:	O3N5C20H33 (1)
Stoich.:	A3B5C20D33 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-90.44
Dipole, Da:	5.63
IP(EA), eV:	-8.74(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=NOC(=C1C(=O)N(C)C2CCN(CC2)CC(=O)N3CCN(CC3)C)C

DOS

IR

Vibrations