Geometry & MOs

Info

ID:	172576
PubChem CID:	75526605
Reduced:	OSN4H10C12 (1)
Stoich.:	ABC4D10E12 (1)
Weight, g/mol:	333.205242
ΔH_f, kcal/mol:	47.0
Dipole, Da:	5.93
IP(EA), eV:	-9.31(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N=C(N2)NCC3=NC=CS3

DOS

IR

Vibrations