Geometry & MOs

Info

ID:	336139
PubChem CID:	127255146
Reduced:	N3O5H19C21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	476.217203
ΔH_f, kcal/mol:	-151.39
Dipole, Da:	3.1
IP(EA), eV:	-9.37(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxopyridin-3-yl]propanoate

Drug info:

PubChemData

Smile

COC(=O)CCNC(=O)CN1C2C3=CC=CC=C3C(=O)N2C4=CC=CC=C4C1=O

DOS

IR

Vibrations