Geometry & MOs

Info

ID:	368710
PubChem CID:	127329919
Reduced:	ON5C20H33 (1)
Stoich.:	AB5C20D33 (1)
Weight, g/mol:	373.284161
ΔH_f, kcal/mol:	-36.82
Dipole, Da:	3.37
IP(EA), eV:	-8.36(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations