Geometry & MOs

Info

ID:	438745
PubChem CID:	135228498
Reduced:	N3O4C23H25 (1)
Stoich.:	A3B4C23D25 (1)
Weight, g/mol:	423.215806
ΔH_f, kcal/mol:	-103.7
Dipole, Da:	7.83
IP(EA), eV:	-9.39(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)C4=CC=NN4C

DOS

IR

Vibrations