Geometry & MOs

Info

ID:	275301
PubChem CID:	103815025
Reduced:	ON5C7H13 (1)
Stoich.:	AB5C7D13 (1)
Weight, g/mol:	197.12766
ΔH_f, kcal/mol:	-4.44
Dipole, Da:	3.4
IP(EA), eV:	-9.56(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide

Drug info:

PubChemData

Smile

CC(C1=NC=NN1)NC(=O)CNC

DOS

IR

Vibrations