Geometry & MOs

Info

ID:	327627
PubChem CID:	126690556
Reduced:	NO2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	376.215078
ΔH_f, kcal/mol:	-155.06
Dipole, Da:	6.04
IP(EA), eV:	-9.3(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(C(C(C1)O)O)N2C3=CC=CC=C3CCC4=CC=CC=C42

DOS

IR

Vibrations