Geometry & MOs

Info

ID:	149562
PubChem CID:	53789235
Reduced:	O3C20H26 (1)
Stoich.:	A3B20C26 (1)
Weight, g/mol:	495.228183
ΔH_f, kcal/mol:	-84.2
Dipole, Da:	5.34
IP(EA), eV:	-9.13(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-2-[4-(4-fluorophenyl)-5-(2-propoxypyrimidin-4-yl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxamide

Drug info:

PubChemData

Smile

CC(=CC1C(C1(C)C)C(=O)OC2=CC(C(=O)C2)CC=CC=C)C

DOS

IR

Vibrations