Geometry & MOs

Info

ID:	359517
PubChem CID:	127298791
Reduced:	ON2C8H15 (2)
Stoich.:	AB2C8D15 (2)
Weight, g/mol:	399.263425
ΔH_f, kcal/mol:	-104.53
Dipole, Da:	2.29
IP(EA), eV:	-8.84(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-cyano-1-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydroindol-2-yl]-2-(2,4-dimethylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC(C)C(=O)N2CCCCC2)C

DOS

IR

Vibrations