Geometry & MOs

Info

ID:	351481
PubChem CID:	127280369
Reduced:	O3N4C21H36 (1)
Stoich.:	A3B4C21D36 (1)
Weight, g/mol:	393.219846
ΔH_f, kcal/mol:	-167.25
Dipole, Da:	4.12
IP(EA), eV:	-9.29(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(1-tert-butylimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C(=O)CN2CCCC2)NC(=O)CC3CCCCC3

DOS

IR

Vibrations