Geometry & MOs

Info

ID:	438742
PubChem CID:	135228495
Reduced:	N3O5C26H33 (1)
Stoich.:	A3B5C26D33 (1)
Weight, g/mol:	460.308979
ΔH_f, kcal/mol:	-160.16
Dipole, Da:	7.39
IP(EA), eV:	-8.26(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(1E)-1-(butylamino)buta-1,3-dien-2-yl]-10-methoxy-3-pent-1-en-2-yl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)/C(=C/N)/C=NCCCO)C(C)C

DOS

IR

Vibrations