Geometry & MOs

Info

ID:	299096
PubChem CID:	117671231
Reduced:	ON7C23H23 (1)
Stoich.:	AB7C23D23 (1)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	112.81
Dipole, Da:	4.21
IP(EA), eV:	-8.78(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-methylimidazol-4-yl)phenoxy]propan-2-one

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)C1=NN=C(C=C1)C2=CC=CC=C2)NC3=CN=C(C=C3)C4=CC=NN4C

DOS

IR

Vibrations