Geometry & MOs

Info

ID:	438900
PubChem CID:	135228661
Reduced:	PO2N3C11H12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	447.288577
ΔH_f, kcal/mol:	-2.1
Dipole, Da:	4.72
IP(EA), eV:	-9.12(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(Z)-1-amino-3-propyliminoprop-1-en-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

COC(=O)C1=C(C(=CC=C1)P)C2=CN(C=N2)N

DOS

IR

Vibrations