Geometry & MOs

Info

ID:	378049
PubChem CID:	134224118
Reduced:	ClNO5C23H28 (1)
Stoich.:	ABC5D23E28 (1)
Weight, g/mol:	416.194737
ΔH_f, kcal/mol:	-202.24
Dipole, Da:	15.61
IP(EA), eV:	-9.3(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-10-methoxy-9-(3-methoxypropoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)Cl)OCCCOC

DOS

IR

Vibrations