Geometry & MOs

Info

ID:	344478
PubChem CID:	127268062
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	-52.53
Dipole, Da:	2.83
IP(EA), eV:	-8.58(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylcyclohexyl)-2-[4-(pyrazine-2-carbonyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2(CCCC2)NCC(=O)N3C4=CC=CC=C4NC(=O)C3(C)C

DOS

IR

Vibrations