Geometry & MOs

Info

ID:	247525
PubChem CID:	103072091
Reduced:	N2O3C11H16 (1)
Stoich.:	A2B3C11D16 (1)
Weight, g/mol:	180.137497
ΔH_f, kcal/mol:	-88.47
Dipole, Da:	2.61
IP(EA), eV:	-8.96(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylprop-2-en-1-amine

Drug info:

PubChemData

Smile

C=C(CNC1CC1)CN2C(=O)COCC2=O

DOS

IR

Vibrations