Geometry & MOs

Info

ID:	377776
PubChem CID:	134223841
Reduced:	NO6C22H25 (1)
Stoich.:	AB6C22D25 (1)
Weight, g/mol:	377.162708
ΔH_f, kcal/mol:	-218.55
Dipole, Da:	13.45
IP(EA), eV:	-9.14(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-9-(2-cyclopropylethynyl)-10-methoxy-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