Geometry & MOs

Info

ID:	437991
PubChem CID:	135227444
Reduced:	F3N3O3H22C23 (1)
Stoich.:	A3B3C3D22E23 (1)
Weight, g/mol:	178.085461
ΔH_f, kcal/mol:	-212.65
Dipole, Da:	5.0
IP(EA), eV:	-9.11(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

imidazol-1-yl-(2-methyl-1,2-dihydroimidazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)CN(CC2=C(C=CC(=C2)C3=C(C=C(C=C3)OC(F)(F)F)C)OC)C=O

DOS

IR

Vibrations