Geometry & MOs

Info

ID:	361121
PubChem CID:	127302037
Reduced:	SO2N5C16H27 (1)
Stoich.:	AB2C5D16E27 (1)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	-65.18
Dipole, Da:	6.73
IP(EA), eV:	-8.59(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-ethoxy-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=NC(=CS1)CC(=O)NCC2CN(CCN2C)C

DOS

IR

Vibrations