Geometry & MOs

Info

ID:	377777
PubChem CID:	134223842
Reduced:	NO4C23H23 (1)
Stoich.:	AB4C23D23 (1)
Weight, g/mol:	429.178752
ΔH_f, kcal/mol:	-72.7
Dipole, Da:	14.38
IP(EA), eV:	-9.12(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-7-hydroxy-10-methoxy-9-(3-methoxycyclobutyl)oxy-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)C#CC4CC4

DOS

IR

Vibrations