Geometry & MOs

Info

ID:	368706
PubChem CID:	127329914
Reduced:	ON2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	359.268511
ΔH_f, kcal/mol:	-99.6
Dipole, Da:	5.26
IP(EA), eV:	-8.78(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1CCCN(CC1)C(=O)NC2CCN(CC2)CC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations