Geometry & MOs

Info

ID:	438882
PubChem CID:	135228642
Reduced:	NO5C28H31 (1)
Stoich.:	AB5C28D31 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-161.24
Dipole, Da:	7.32
IP(EA), eV:	-8.63(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 9-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-10-ethyl-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)C4=CC=C(C=C4)OC)C(C)(C)C

DOS

IR

Vibrations