Geometry & MOs

Info

ID:	251630
PubChem CID:	103105476
Reduced:	ClO2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	295.072369
ΔH_f, kcal/mol:	5.2
Dipole, Da:	3.69
IP(EA), eV:	-9.73(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(4-chlorophenyl)-1-(2-hydroxypropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)CC2CC2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations