Geometry & MOs

Info

ID:	252730
PubChem CID:	103113634
Reduced:	N2O3C11H22 (1)
Stoich.:	A2B3C11D22 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-162.16
Dipole, Da:	3.16
IP(EA), eV:	-9.57(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-benzyl-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)COC(C)C

DOS

IR

Vibrations