Geometry & MOs

Info

ID:	84750
PubChem CID:	49869630
Reduced:	FO2N4H23C24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	445.284161
ΔH_f, kcal/mol:	-35.4
Dipole, Da:	4.41
IP(EA), eV:	-8.07(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(CCNCC2)C3=C1C=C(C=C3)N4C=CC(=CC4=O)OCC5=NC=C(C=C5)F

DOS

IR

Vibrations