Geometry & MOs

Info

ID:	365194
PubChem CID:	127317011
Reduced:	ON3C10H13 (2)
Stoich.:	AB3C10D13 (2)
Weight, g/mol:	383.199111
ΔH_f, kcal/mol:	-23.99
Dipole, Da:	4.64
IP(EA), eV:	-8.68(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CC(=O)NC2=CC=CC=C21)N3CCN(CC3)CC4=NC=CN4C

DOS

IR

Vibrations