Geometry & MOs

Info

ID:	121231
PubChem CID:	50759528
Reduced:	BrN2O4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	470.12051
ΔH_f, kcal/mol:	-118.31
Dipole, Da:	2.57
IP(EA), eV:	-8.88(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(C3=C(C=CC(=C3)Br)OCC2=O)C(=O)NC4CCCC4

DOS

IR

Vibrations