Geometry & MOs

Info

ID:	377773
PubChem CID:	134223838
Reduced:	NO6C21H23 (1)
Stoich.:	AB6C21D23 (1)
Weight, g/mol:	399.168188
ΔH_f, kcal/mol:	-216.02
Dipole, Da:	14.88
IP(EA), eV:	-9.22(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CC2=CC3=C(C=C2C4=CC(=O)C(=CN14)C(=O)O)OC(O3)CCOC

DOS

IR

Vibrations