Geometry & MOs

Info

ID:	281599
PubChem CID:	103914095
Reduced:	SN2O4C14H22 (1)
Stoich.:	AB2C4D14E22 (1)
Weight, g/mol:	238.179361
ΔH_f, kcal/mol:	-167.48
Dipole, Da:	6.48
IP(EA), eV:	-9.75(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC(C1=CC=C(C=C1)S(=O)(=O)C)O

DOS

IR

Vibrations