Geometry & MOs

Info

ID:	255352
PubChem CID:	103131561
Reduced:	N3C12H13 (1)
Stoich.:	A3B12C13 (1)
Weight, g/mol:	201.126598
ΔH_f, kcal/mol:	65.69
Dipole, Da:	2.15
IP(EA), eV:	-8.1(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[2-(1-methylpyrazol-3-yl)phenyl]methanamine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=CC3=C(CCN3)C=C2

DOS

IR

Vibrations