Geometry & MOs

Info

ID:	252204
PubChem CID:	103109781
Reduced:	BrSN2C12H21 (1)
Stoich.:	ABC2D12E21 (1)
Weight, g/mol:	265.121512
ΔH_f, kcal/mol:	14.12
Dipole, Da:	1.35
IP(EA), eV:	-8.71(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]-4-cyanobenzamide

Drug info:

PubChemData

Smile

CCN(C)CC(C)NCC1=CC(=C(S1)Br)C

DOS

IR

Vibrations