Geometry & MOs

Info

ID:	199096
PubChem CID:	79196701
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	-42.12
Dipole, Da:	5.25
IP(EA), eV:	-8.85(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(methylamino)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNC(=O)C(C)CNC

DOS

IR

Vibrations