Geometry & MOs

Info

ID:	7118
PubChem CID:	71264
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-86.36
Dipole, Da:	3.8
IP(EA), eV:	-8.77(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[11-[2-(dimethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CN(C)C)C=C1

DOS

IR

Vibrations