Geometry & MOs

Info

ID:	290393
PubChem CID:	104447782
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	283.16444
ΔH_f, kcal/mol:	-107.66
Dipole, Da:	6.24
IP(EA), eV:	-9.72(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-[3-(triazol-1-yl)propylcarbamoylamino]pentanoic acid

Drug info:

PubChemData

Smile

C1CCC(N(CC1)C(=O)NCCCN2C=CC=N2)C(=O)O

DOS

IR

Vibrations