Geometry & MOs

Info

ID:	377784
PubChem CID:	134223849
Reduced:	ClNO5C22H24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	427.199488
ΔH_f, kcal/mol:	-198.66
Dipole, Da:	12.32
IP(EA), eV:	-9.51(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-10-methoxy-9-(3-methoxycyclopentyl)oxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)Cl)O[C@@H]4CCOC4

DOS

IR

Vibrations