Geometry & MOs

Info

ID:	335814
PubChem CID:	127254676
Reduced:	ON7C16H21 (1)
Stoich.:	AB7C16D21 (1)
Weight, g/mol:	462.19032
ΔH_f, kcal/mol:	69.78
Dipole, Da:	6.64
IP(EA), eV:	-9.16(-0.45)
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-(6-methyl-2-oxo-1H-quinolin-3-yl)propanoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCCN1C=NC2=CC=CC=C21)N3C=NN=N3

DOS

IR

Vibrations