Geometry & MOs

Info

ID:	334958
PubChem CID:	127253764
Reduced:	NO6H21C29 (1)
Stoich.:	AB6C21D29 (1)
Weight, g/mol:	432.179755
ΔH_f, kcal/mol:	-102.11
Dipole, Da:	6.1
IP(EA), eV:	-8.95(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxopyridin-3-yl]-3-quinolin-4-ylpropanoate

Drug info:

PubChemData

Smile

CC1=CC=C(O1)/C=C\2/C(=O)C3=C(O2)C4=C(C=C3)OC(=O)CC4C5=CC=CC=C5OCC6=CC=CC=N6

DOS

IR

Vibrations