Geometry & MOs

Info

ID:	348123
PubChem CID:	127273185
Reduced:	ON5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	20.25
Dipole, Da:	7.45
IP(EA), eV:	-8.84(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,3-trimethyl-N-[4-(triazol-1-yl)phenyl]-6-azabicyclo[3.2.1]octane-6-carboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)NC2=CC=C(C=C2)N3C=CN=N3

DOS

IR

Vibrations