Geometry & MOs

Info

ID:	376671
PubChem CID:	134222694
Reduced:	OC13H26 (1)
Stoich.:	AB13C26 (1)
Weight, g/mol:	509.277738
ΔH_f, kcal/mol:	-105.68
Dipole, Da:	1.67
IP(EA), eV:	-9.38(2.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3,4,5-trimethoxy-6-[(E)-2-[(1R,3S,4S)-4-methoxy-1,3-dimethylcyclohexyl]ethenyl]-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

CC(C)CC[C@]1(CC[C@H](O1)C(C)C)C

DOS

IR

Vibrations