Geometry & MOs

Info

ID:	126625
PubChem CID:	50970638
Reduced:	ON4C20H32 (1)
Stoich.:	AB4C20D32 (1)
Weight, g/mol:	361.201494
ΔH_f, kcal/mol:	-31.58
Dipole, Da:	1.97
IP(EA), eV:	-7.8(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-phenylimidazol-4-yl]-1-ethyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)NC(=O)CCN2CCC[C@H]2CN3CCCC3

DOS

IR

Vibrations