Geometry & MOs

Info

ID:	252936
PubChem CID:	103115021
Reduced:	ClO2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	307.108754
ΔH_f, kcal/mol:	-40.59
Dipole, Da:	6.54
IP(EA), eV:	-9.96(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-chlorophenyl)methyl]-1-pentan-3-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)N1C(=C(N=N1)C(=O)O)CC2=CC=CC=C2Cl

DOS

IR

Vibrations