Geometry & MOs

Info

ID:	121230
PubChem CID:	50759527
Reduced:	NO3C14H18 (2)
Stoich.:	AB3C14D18 (2)
Weight, g/mol:	472.09977
ΔH_f, kcal/mol:	-209.92
Dipole, Da:	6.82
IP(EA), eV:	-8.08(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-N-cyclopentyl-4-(4-ethoxyphenyl)-3-oxo-5H-1,4-benzoxazepine-5-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CCN2C(C3=C(C(=CC=C3)OC)OCC2=O)C(=O)NC4CCCC4)OCC

DOS

IR

Vibrations