Geometry & MOs

Info

ID:	308135
PubChem CID:	125317105
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	-70.08
Dipole, Da:	2.42
IP(EA), eV:	-9.07(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,8R)-6-(2-hydroxyethyl)-2,2-dimethyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-10,12,14,16-tetraene-4,7-dione

Drug info:

PubChemData

Smile

CC1([C@H]2C(=C3C=CC=CC3=N2)C[C@H]4N1C(=O)CN(C4=O)CCO)C

DOS

IR

Vibrations