Geometry & MOs

Info

ID:	368723
PubChem CID:	127329942
Reduced:	O2N5C19H37 (1)
Stoich.:	A2B5C19D37 (1)
Weight, g/mol:	359.268511
ΔH_f, kcal/mol:	-102.8
Dipole, Da:	5.52
IP(EA), eV:	-8.56(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-[[2-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCOC(C1)CN2CCN(CC2)C(=O)NCC3CCCN3C

DOS

IR

Vibrations