Geometry & MOs

Info

ID:	78516
PubChem CID:	49693456
Reduced:	SN3O4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-146.58
Dipole, Da:	3.05
IP(EA), eV:	-9.45(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-tert-butylbenzoyl)-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCNC(=O)C3C

DOS

IR

Vibrations