Geometry & MOs

Info

ID:	30620
PubChem CID:	841580
Reduced:	NS2O3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	-71.69
Dipole, Da:	5.72
IP(EA), eV:	-9.09(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5S)-4-(cyclopropanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclopropylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)NC(=O)C2=CC=CS2)C(=O)OC

DOS

IR

Vibrations