Geometry & MOs

Info

ID:	190266
PubChem CID:	77978469
Reduced:	O2N4C9H12 (1)
Stoich.:	A2B4C9D12 (1)
Weight, g/mol:	516.217971
ΔH_f, kcal/mol:	-35.22
Dipole, Da:	6.02
IP(EA), eV:	-8.66(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butylidene]-5-(2-hydroxyethyl)benzo[c][1]benzazepin-6-one

Drug info:

PubChemData

Smile

C1CCNC(=C2NC(=O)C(=O)C(=N2)N)C1

DOS

IR

Vibrations