Geometry & MOs

Info

ID:	433085
PubChem CID:	135173222
Reduced:	N2O2C14H15 (2)
Stoich.:	A2B2C14D15 (2)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	-64.6
Dipole, Da:	6.49
IP(EA), eV:	-9.19(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[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]oxycyclohexan-1-ol

Drug info:

PubChemData

Smile

C1CC(CCC1O)OC2=NC=CC(=C2)C3=NC4=C(C=C3)N=C5N4CCOC6=CC=CC=C6CCOC5

DOS

IR

Vibrations