Geometry & MOs

Info

ID:	123410
PubChem CID:	50846105
Reduced:	N3O3C19H31 (1)
Stoich.:	A3B3C19D31 (1)
Weight, g/mol:	413.198238
ΔH_f, kcal/mol:	-153.4
Dipole, Da:	6.17
IP(EA), eV:	-8.41(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[6-(azepan-1-yl)pyridazin-3-yl]piperidin-4-yl]-3-chlorobenzamide

Drug info:

PubChemData

Smile

CCCCN(C)C(=O)CCC1=C(C(=C(N1)C)C(=O)N2CCOCC2)C

DOS

IR

Vibrations