Geometry & MOs

Info

ID:	255366
PubChem CID:	103131616
Reduced:	FN3C11H12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	215.142248
ΔH_f, kcal/mol:	19.3
Dipole, Da:	4.62
IP(EA), eV:	-8.79(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=C(C=CC(=C2)CN)F

DOS

IR

Vibrations