Geometry & MOs

Info

ID:	252056
PubChem CID:	103108788
Reduced:	ON2C10H18 (1)
Stoich.:	AB2C10D18 (1)
Weight, g/mol:	300.135304
ΔH_f, kcal/mol:	-18.45
Dipole, Da:	4.55
IP(EA), eV:	-9.02(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(chloromethyl)-1-(2-piperidin-1-ylethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(C)C#C

DOS

IR

Vibrations