Geometry & MOs

Info

ID:	253496
PubChem CID:	103118792
Reduced:	N5C15H17 (1)
Stoich.:	A5B15C17 (1)
Weight, g/mol:	262.10659
ΔH_f, kcal/mol:	104.73
Dipole, Da:	2.34
IP(EA), eV:	-8.35(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-[(4-hydroxyphenyl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(N(N=C1C2=NN(C=C2)C)C3=CC=CC=C3)N

DOS

IR

Vibrations