Geometry & MOs

Info

ID:	141909
PubChem CID:	52950005
Reduced:	ON3H9C10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	397.160183
ΔH_f, kcal/mol:	43.25
Dipole, Da:	4.09
IP(EA), eV:	-8.8(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(3-methylbut-1-ynyl)phenyl]imidazol-4-one

Drug info:

PubChemData

Smile

CN1C2=NC(=NC(=C2C=N1)NC3=CC(=CC=C3)OC)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations