Geometry & MOs

Info

ID:	304537
PubChem CID:	124756216
Reduced:	NOC9H14 (2)
Stoich.:	ABC9D14 (2)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-66.55
Dipole, Da:	1.29
IP(EA), eV:	-8.32(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-2-oxo-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCCCN2CCN3CCCC[C@H]3C2

DOS

IR

Vibrations