Geometry & MOs

Info

ID:	398944
PubChem CID:	135036494
Reduced:	NO4C22H25 (1)
Stoich.:	AB4C22D25 (1)
Weight, g/mol:	303.183444
ΔH_f, kcal/mol:	-135.49
Dipole, Da:	3.7
IP(EA), eV:	-9.02(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-3-butyl-2-oxo-4-propan-2-yl-4,5-dihydro-1H-3-benzazepine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)N1[C@@H]([C@H](C2=CC=CC=C2CC1=O)C(=O)OC)C3=CC=C(C=C3)OC

DOS

IR

Vibrations