Geometry & MOs

Info

ID:	445271
PubChem CID:	135265728
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	433.200156
ΔH_f, kcal/mol:	-29.51
Dipole, Da:	8.75
IP(EA), eV:	-9.16(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,2-dimethyl-3-[4-[5-[5-(oxan-4-yl)-1H-imidazol-2-yl]-3,4-didehydropyridin-2-yl]phenoxy]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1C2CC=C(C=C2)C3=NC=C(N3)C#N)OCC(C)(C)C(=O)O

DOS

IR

Vibrations