Geometry & MOs

Info

ID:	438880
PubChem CID:	135228640
Reduced:	N2C29H30 (1)
Stoich.:	A2B29C30 (1)
Weight, g/mol:	423.215806
ΔH_f, kcal/mol:	86.87
Dipole, Da:	7.71
IP(EA), eV:	-7.66(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CC3=C(C=C2C)C4=CC(=C)C(=CN4C(C3)C(C)(C)C)C(=C)C#N

DOS

IR

Vibrations