Geometry & MOs

Info

ID:	368709
PubChem CID:	127329918
Reduced:	ON2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	359.268511
ΔH_f, kcal/mol:	-83.82
Dipole, Da:	7.07
IP(EA), eV:	-8.78(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-[[2-(4-methylpiperazin-1-yl)pyridin-4-yl]methyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1CCCN(CC1)C(=O)NCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C

DOS

IR

Vibrations