Geometry & MOs

Info

ID:	191453
PubChem CID:	78148262
Reduced:	O9C38H52 (1)
Stoich.:	A9B38C52 (1)
Weight, g/mol:	318.136828
ΔH_f, kcal/mol:	-392.92
Dipole, Da:	5.19
IP(EA), eV:	-8.81(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-oxo-5-prop-2-enylbenzo[c][1]benzazocin-12-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C(C1=C(C(=C2C(=C1O)C3C4CC(OC4(O2)C(C(=O)C3(C)C)(C)C)(C)C)C(=O)C(C)C)O)C5=C(C(C(=O)C(C5=O)(C)C)(C)C)O

DOS

IR

Vibrations