Geometry & MOs

Info

ID:	252832
PubChem CID:	103114442
Reduced:	O3N5C12H15 (1)
Stoich.:	A3B5C12D15 (1)
Weight, g/mol:	264.12224
ΔH_f, kcal/mol:	3.99
Dipole, Da:	4.51
IP(EA), eV:	-10.41(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 5-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CN2C(=C(N=N2)C(=O)OCC=C)C

DOS

IR

Vibrations