Geometry & MOs

Info

ID:	209221
PubChem CID:	80640021
Reduced:	SN2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	273.15896
ΔH_f, kcal/mol:	31.61
Dipole, Da:	1.65
IP(EA), eV:	-8.37(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(2-aminoethyl)-3-methylpyridin-2-yl]-N,N-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1SC2=CC=C(C=C2)C(C)C)CN

DOS

IR

Vibrations