Geometry & MOs

Info

ID:	269258
PubChem CID:	103616617
Reduced:	ClNO3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	196.132411
ΔH_f, kcal/mol:	-132.52
Dipole, Da:	3.66
IP(EA), eV:	-9.47(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC1=CC(=CC=C1)Cl)NC(=O)COCCOC

DOS

IR

Vibrations