Geometry & MOs

Info

ID:	251930
PubChem CID:	103107923
Reduced:	O3N4C12H18 (1)
Stoich.:	A3B4C12D18 (1)
Weight, g/mol:	224.09094
ΔH_f, kcal/mol:	-84.66
Dipole, Da:	2.16
IP(EA), eV:	-10.24(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2C=C(N=N2)C(=O)OC

DOS

IR

Vibrations