Geometry & MOs

Info

ID:	255350
PubChem CID:	103131536
Reduced:	N3C12H13 (1)
Stoich.:	A3B12C13 (1)
Weight, g/mol:	201.126598
ΔH_f, kcal/mol:	65.54
Dipole, Da:	2.7
IP(EA), eV:	-7.93(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1-methylpyrazol-3-yl)phenyl]ethanamine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=CC3=C(C=C2)NCC3

DOS

IR

Vibrations