Geometry & MOs

Info

ID:	281729
PubChem CID:	103914282
Reduced:	FON2C8H17 (1)
Stoich.:	ABC2D8E17 (1)
Weight, g/mol:	211.14331
ΔH_f, kcal/mol:	-119.21
Dipole, Da:	3.89
IP(EA), eV:	-9.5(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]butanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCCCF

DOS

IR

Vibrations