Geometry & MOs

Info

ID:	252928
PubChem CID:	103114986
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-34.62
Dipole, Da:	7.55
IP(EA), eV:	-9.47(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclopropylethyl)-5-[(3-methylphenyl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2=C(N=NN2C3CCCC3)C(=O)O

DOS

IR

Vibrations