Geometry & MOs

Info

ID:	172624
PubChem CID:	75531931
Reduced:	N3O5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	215.131014
ΔH_f, kcal/mol:	-190.8
Dipole, Da:	3.69
IP(EA), eV:	-8.86(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,4,5,7,8,9,10-octahydrobenzo[h][1]benzazepin-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(=O)C(NC2=O)CCC(=O)N3CCOCC3

DOS

IR

Vibrations