Geometry & MOs

Info

ID:	366672
PubChem CID:	127320201
Reduced:	OSN6C20H26 (1)
Stoich.:	ABC6D20E26 (1)
Weight, g/mol:	348.227374
ΔH_f, kcal/mol:	22.61
Dipole, Da:	5.61
IP(EA), eV:	-8.7(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylcarbamoyl)-2-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CN3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations