Geometry & MOs

Info

ID:	438770
PubChem CID:	135228524
Reduced:	N3O5C29H33 (1)
Stoich.:	A3B5C29D33 (1)
Weight, g/mol:	434.220557
ΔH_f, kcal/mol:	-170.54
Dipole, Da:	10.87
IP(EA), eV:	-8.68(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(3E,5Z)-6-aminohepta-1,3,5-trien-3-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)C4=CN=C(C=C4)N5CCC(CC5)O

DOS

IR

Vibrations