Geometry & MOs

Info

ID:	275104
PubChem CID:	103813830
Reduced:	ON5C10H17 (1)
Stoich.:	AB5C10D17 (1)
Weight, g/mol:	197.12766
ΔH_f, kcal/mol:	-7.81
Dipole, Da:	5.14
IP(EA), eV:	-9.68(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNC(=O)C2CCCN2

DOS

IR

Vibrations