Geometry & MOs

Info

ID:	364318
PubChem CID:	127315417
Reduced:	SN3O5C16H19 (1)
Stoich.:	AB3C5D16E19 (1)
Weight, g/mol:	255.194677
ΔH_f, kcal/mol:	-132.02
Dipole, Da:	3.95
IP(EA), eV:	-8.79(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dimethylbutanoyl)-N,N-dimethylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N[C@@H](C)C(=O)N2CCOC3=CC=CC=C32

DOS

IR

Vibrations