Geometry & MOs

Info

ID:	285274
PubChem CID:	104098918
Reduced:	N2C3H4 (3)
Stoich.:	A2B3C4 (3)
Weight, g/mol:	234.128075
ΔH_f, kcal/mol:	106.57
Dipole, Da:	2.42
IP(EA), eV:	-9.96(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluoro-3-methylphenyl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CN(N=N1)CCNCC2=CN=CN=C2

DOS

IR

Vibrations