Geometry & MOs

Info

ID:	439041
PubChem CID:	135228804
Reduced:	N3O4C26H31 (1)
Stoich.:	A3B4C26D31 (1)
Weight, g/mol:	451.210721
ΔH_f, kcal/mol:	-114.13
Dipole, Da:	12.53
IP(EA), eV:	-8.37(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(Z)-1-amino-3-(oxetan-3-ylimino)prop-1-en-2-yl]-6-tert-butyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)/C(=C/N)/C=NC4CCC4

DOS

IR

Vibrations