Geometry & MOs

Info

ID:	261405
PubChem CID:	103231166
Reduced:	NO2C8H13 (1)
Stoich.:	AB2C8D13 (1)
Weight, g/mol:	290.174276
ΔH_f, kcal/mol:	-65.05
Dipole, Da:	4.8
IP(EA), eV:	-9.0(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-adamantylamino)ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)/C=C/NCC1CC1

DOS

IR

Vibrations