Geometry & MOs

Info

ID:	436772
PubChem CID:	135211314
Reduced:	BrN2O4C30H33 (1)
Stoich.:	AB2C4D30E33 (1)
Weight, g/mol:	316.157563
ΔH_f, kcal/mol:	-97.08
Dipole, Da:	4.67
IP(EA), eV:	-8.79(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7,9-trimethyl-6-methylidene-12-oxo-5,13-dihydrobenzo[d][1]benzazonine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)OC3CCOC34CCN(CC4)C5COC5)C(=O)C6=C1N(C7=C6C=CC(=C7)Br)C)C

DOS

IR

Vibrations