Geometry & MOs

Info

ID:	433081
PubChem CID:	135173218
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-12.83
Dipole, Da:	7.07
IP(EA), eV:	-9.03(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[4-[(3S)-3-methyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl]pyridin-2-yl]oxypropan-2-ol

Drug info:

PubChemData

Smile

C1CC2=NC3=C(N2C1)N=C(C=C3)C4=CC(=O)N(C=C4)CC5CCOCC5

DOS

IR

Vibrations