Geometry & MOs

Info

ID:	336029
PubChem CID:	127255036
Reduced:	ON2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	473.195071
ΔH_f, kcal/mol:	12.7
Dipole, Da:	6.16
IP(EA), eV:	-8.32(-0.54)
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-(3-phenoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CC(C)N1C=C(C2=CC=CC=C21)CCNC(=O)C3=CC(=C(C=C3)OC)N4C=CC=N4

DOS

IR

Vibrations