Geometry & MOs

Info

ID:	252280
PubChem CID:	103110244
Reduced:	BrClON2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	282.173213
ΔH_f, kcal/mol:	-8.71
Dipole, Da:	4.2
IP(EA), eV:	-8.61(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]-2-(2,5-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC(=O)C2=C(C=CC(=C2)Br)Cl

DOS

IR

Vibrations