Geometry & MOs

Info

ID:	121229
PubChem CID:	50759408
Reduced:	FN2O3H19C24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	496.257337
ΔH_f, kcal/mol:	-70.26
Dipole, Da:	7.16
IP(EA), eV:	-8.83(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-4-[2-(3,4-diethoxyphenyl)ethyl]-9-methoxy-3-oxo-5H-1,4-benzoxazepine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C(=O)C(=CN2CC3=CC(=CC=C3)F)C(=O)C4=CC=CC=C4OC

DOS

IR

Vibrations