Geometry & MOs

Info

ID:	196609
PubChem CID:	78853078
Reduced:	SO2N4H18C21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	261.209264
ΔH_f, kcal/mol:	13.32
Dipole, Da:	9.11
IP(EA), eV:	-9.02(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethylphenyl)-N-methyl-N-(3-methylbutyl)propanamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C#N)NC(=O)C2=CC=C(S2)NC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations