Geometry & MOs

Info

ID:	207383
PubChem CID:	80389680
Reduced:	NO2C18H31 (1)
Stoich.:	AB2C18D31 (1)
Weight, g/mol:	292.189926
ΔH_f, kcal/mol:	-140.05
Dipole, Da:	2.0
IP(EA), eV:	-9.56(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(2-aminoethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)OC(=O)CC3(CCCCC3)N)C)C

DOS

IR

Vibrations