Geometry & MOs

Info

ID:	300087
PubChem CID:	119526721
Reduced:	ON5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	366.157102
ΔH_f, kcal/mol:	25.3
Dipole, Da:	4.51
IP(EA), eV:	-9.09(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-2-oxoethyl)-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]triazole-4-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)NCC(C3=CC=C(C=C3)C(C)C)N)C

DOS

IR

Vibrations