Geometry & MOs

Info

ID:	128553
PubChem CID:	51049804
Reduced:	N5H29C34 (1)
Stoich.:	A5B29C34 (1)
Weight, g/mol:	356.17002
ΔH_f, kcal/mol:	165.49
Dipole, Da:	5.71
IP(EA), eV:	-8.47(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-difluorophenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-propan-2-ylimidazole

Drug info:

PubChemData

Smile

C1CN(CCC12CNC3=CC=CC=C23)CC4=CC=C(C=C4)C5=NC6=C(C=C(C=C6)C#N)N=C5C7=CC=CC=C7

DOS

IR

Vibrations