Geometry & MOs

Info

ID:	196005
PubChem CID:	78764866
Reduced:	N2O3C21H22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	317.162708
ΔH_f, kcal/mol:	-103.25
Dipole, Da:	5.87
IP(EA), eV:	-8.45(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(azepan-1-yl)-2-oxoethyl] 4-oxo-4-phenylbutanoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)N3C(=O)C4CCCCC4C3=O

DOS

IR

Vibrations