Geometry & MOs

Info

ID:	439123
PubChem CID:	135228887
Reduced:	N2C33H50 (1)
Stoich.:	A2B33C50 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	18.82
Dipole, Da:	1.44
IP(EA), eV:	-8.51(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC/C=C\C(=C/N)\C1=CC(=C(C=C1C)/C(=C/C(=C)/C(=C\C)/C(=C)C)/C)CC(C)C(C)(C)C

DOS

IR

Vibrations