Geometry & MOs

Info

ID:	285981
PubChem CID:	104143414
Reduced:	BrON3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	289.09819
ΔH_f, kcal/mol:	-3.08
Dipole, Da:	4.15
IP(EA), eV:	-8.83(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(2-chlorophenyl)methyl]-6-ethylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)NC2=C(C=C(C=C2)Br)C)NC

DOS

IR

Vibrations