Geometry & MOs

Info

ID:	424979
PubChem CID:	135124698
Reduced:	O2C9H20 (1)
Stoich.:	A2B9C20 (1)
Weight, g/mol:	485.231456
ΔH_f, kcal/mol:	-83.88
Dipole, Da:	3.01
IP(EA), eV:	-10.21(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[(2S,4R)-6-(3-acetamidophenyl)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-3-methylbenzoate

Drug info:

PubChemData

Smile

CC(C)(CO)CO.C=C.C=C

DOS

IR

Vibrations