Geometry & MOs

Info

ID:	197654
PubChem CID:	78984254
Reduced:	BrON3H12C15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	272.098334
ΔH_f, kcal/mol:	43.43
Dipole, Da:	2.72
IP(EA), eV:	-8.63(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-4-methylphenyl)-4-methylsulfanylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1COC2=NC=NC3=C2C=C(C=C3)N)Br

DOS

IR

Vibrations