Geometry & MOs

Info

ID:	263798
PubChem CID:	103399309
Reduced:	ClN5C12H16 (1)
Stoich.:	AB5C12D16 (1)
Weight, g/mol:	295.200825
ΔH_f, kcal/mol:	58.99
Dipole, Da:	8.9
IP(EA), eV:	-9.12(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-tert-butyltriazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)N1C=C(N=N1)CNC2=CC(=NC=C2)Cl

DOS

IR

Vibrations