Geometry & MOs

Info

ID:	29479
PubChem CID:	834088
Reduced:	NCl2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	333.18009
ΔH_f, kcal/mol:	-7.36
Dipole, Da:	1.32
IP(EA), eV:	-8.97(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[2-methoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)NCC2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations