Geometry & MOs

Info

ID:	169446
PubChem CID:	75105530
Reduced:	ClNOC20H28 (1)
Stoich.:	ABCD20E28 (1)
Weight, g/mol:	474.155764
ΔH_f, kcal/mol:	-60.24
Dipole, Da:	3.84
IP(EA), eV:	-8.86(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1-carboxy-3-phenylpropyl)amino]-6-oxo-1,3,4,7,8,12b-hexahydro-[1,4]oxazino[3,4-a][2]benzazepine-4-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(C(CN(C)C)C2=CC=CC=C2)O)C.Cl

DOS

IR

Vibrations