Geometry & MOs

Info

ID:	355582
PubChem CID:	127289340
Reduced:	O2N5C20H33 (1)
Stoich.:	A2B5C20D33 (1)
Weight, g/mol:	376.204531
ΔH_f, kcal/mol:	-90.76
Dipole, Da:	3.61
IP(EA), eV:	-9.01(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-tert-butylimidazol-2-yl)sulfanyl-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CC2=NC=CN2C)NC(=O)CC3CCCCC3

DOS

IR

Vibrations