Geometry & MOs

Info

ID:	251908
PubChem CID:	103107778
Reduced:	OCl2N2C15H22 (1)
Stoich.:	AB2C2D15E22 (1)
Weight, g/mol:	252.12224
ΔH_f, kcal/mol:	-60.44
Dipole, Da:	7.21
IP(EA), eV:	-9.17(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC(C1=CC(=C(C=C1)Cl)Cl)NC(C)C(=O)N(C)CC

DOS

IR

Vibrations