Geometry & MOs

Info

ID:	84811
PubChem CID:	49870033
Reduced:	NO6C32H47 (1)
Stoich.:	AB6C32D47 (1)
Weight, g/mol:	479.269654
ΔH_f, kcal/mol:	-264.19
Dipole, Da:	6.31
IP(EA), eV:	-9.1(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-1-(4-fluorophenyl)-2,5-dimethylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCOC1=CC=C(O1)C(=O)OC(C)OC(=O)N2CCC(C2)C3=CC=CC=C3

DOS

IR

Vibrations