Geometry & MOs

Info

ID:	275105
PubChem CID:	103813835
Reduced:	ON5C8H15 (1)
Stoich.:	AB5C8D15 (1)
Weight, g/mol:	211.14331
ΔH_f, kcal/mol:	-9.46
Dipole, Da:	4.98
IP(EA), eV:	-9.81(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNC(=O)CCN

DOS

IR

Vibrations