Geometry & MOs

Info

ID:	205223
PubChem CID:	80071430
Reduced:	OSN6C9H12 (1)
Stoich.:	ABC6D9E12 (1)
Weight, g/mol:	269.152812
ΔH_f, kcal/mol:	54.82
Dipole, Da:	5.06
IP(EA), eV:	-8.69(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-aminophenyl)methyl]-N-ethyl-2-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(=O)N(N=N2)CCCC(=S)N

DOS

IR

Vibrations