Geometry & MOs

Info

ID:	377749
PubChem CID:	134223814
Reduced:	NO2C14H25 (1)
Stoich.:	AB2C14D25 (1)
Weight, g/mol:	427.199488
ΔH_f, kcal/mol:	-98.93
Dipole, Da:	5.74
IP(EA), eV:	-8.6(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-10-methoxy-9-[[1-(methoxymethyl)cyclopropyl]methoxy]-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/N(C)C(CC(=C)C)C(C)C

DOS

IR

Vibrations