Geometry & MOs

Info

ID:	139010
PubChem CID:	52457358
Reduced:	N3O4C18H21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-113.39
Dipole, Da:	2.88
IP(EA), eV:	-8.6(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)NCC2=CC=CO2)N3CCCCC3=O

DOS

IR

Vibrations