Geometry & MOs

Info

ID:	255369
PubChem CID:	103131622
Reduced:	ClN3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	202.121846
ΔH_f, kcal/mol:	46.65
Dipole, Da:	5.83
IP(EA), eV:	-8.88(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[5-(1-methylpyrazol-3-yl)pyridin-3-yl]methanamine

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)C2=NN(C=C2)C)Cl)N

DOS

IR

Vibrations