Geometry & MOs

Info

ID:	281634
PubChem CID:	103914147
Reduced:	ClON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	248.188863
ΔH_f, kcal/mol:	-19.56
Dipole, Da:	3.84
IP(EA), eV:	-9.32(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[(2,4,6-trimethylphenyl)methylamino]butanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC1=C2C(=C(C=C1)Cl)C=CC=N2

DOS

IR

Vibrations