Geometry & MOs

Info

ID:	251929
PubChem CID:	103107922
Reduced:	OCl2N2C15H22 (1)
Stoich.:	AB2C2D15E22 (1)
Weight, g/mol:	266.13789
ΔH_f, kcal/mol:	-57.03
Dipole, Da:	6.14
IP(EA), eV:	-9.36(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations