Geometry & MOs

Info

ID:	252269
PubChem CID:	103110181
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	275.08254
ΔH_f, kcal/mol:	-81.98
Dipole, Da:	6.3
IP(EA), eV:	-9.61(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]-5-chloropyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)COC1=CC=C(C=C1)C#N

DOS

IR

Vibrations