Geometry & MOs

Info

ID:	285325
PubChem CID:	104099047
Reduced:	FN4C11H13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	230.153147
ΔH_f, kcal/mol:	36.03
Dipole, Da:	4.43
IP(EA), eV:	-9.77(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-dimethylphenyl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CNCCN2C=CN=N2

DOS

IR

Vibrations