Geometry & MOs

Info

ID:	377779
PubChem CID:	134223844
Reduced:	NO5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	413.183838
ΔH_f, kcal/mol:	-192.25
Dipole, Da:	14.06
IP(EA), eV:	-9.28(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-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=C(C=C3CC(OC3=C2)CCOC)C4=CC(=O)C(=CN14)C(=O)O

DOS

IR

Vibrations