Geometry & MOs

Info

ID:	247459
PubChem CID:	103071532
Reduced:	ON2C9H12 (1)
Stoich.:	AB2C9D12 (1)
Weight, g/mol:	138.090546
ΔH_f, kcal/mol:	-6.97
Dipole, Da:	3.11
IP(EA), eV:	-9.14(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine

Drug info:

PubChemData

Smile

C=C(CN)CN1C=CC=CC1=O

DOS

IR

Vibrations