Geometry & MOs

Info

ID:	449551
PubChem CID:	135299520
Reduced:	O2N3H12C13 (2)
Stoich.:	A2B3C12D13 (2)
Weight, g/mol:	468.17731
ΔH_f, kcal/mol:	20.74
Dipole, Da:	9.4
IP(EA), eV:	-8.42(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[5-[2-(2-hydroxyethyl)-5-(trifluoromethyl)-1H-imidazol-4-yl]-2,4-dimethylbenzoyl]azetidin-3-yl]benzonitrile

Drug info:

PubChemData

Smile

C=CC(=O)N1CC[C@H](C1)N2C3=C(/C(=C(/N)\N=O)/NC=C3)N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5

DOS

IR

Vibrations