Geometry & MOs

Info

ID:	253998
PubChem CID:	103122081
Reduced:	N4O4C13H14 (1)
Stoich.:	A4B4C13D14 (1)
Weight, g/mol:	290.174276
ΔH_f, kcal/mol:	-74.04
Dipole, Da:	5.08
IP(EA), eV:	-8.93(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-adamantylmethyl)-5-(aminomethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1C(OC2=CC=CC=C2O1)CN3C(=C(N=N3)C(=O)O)CN

DOS

IR

Vibrations