Geometry & MOs

Info

ID:	377774
PubChem CID:	134223839
Reduced:	NO6C22H25 (1)
Stoich.:	AB6C22D25 (1)
Weight, g/mol:	385.152537
ΔH_f, kcal/mol:	-219.66
Dipole, Da:	14.08
IP(EA), eV:	-9.06(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations