Geometry & MOs

Info

ID:	126138
PubChem CID:	50952992
Reduced:	N3C10H13 (2)
Stoich.:	A3B10C13 (2)
Weight, g/mol:	306.241962
ΔH_f, kcal/mol:	58.79
Dipole, Da:	6.02
IP(EA), eV:	-8.63(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1CCNC3=NC(=NC4=C3CCNCC4)C

DOS

IR

Vibrations