Geometry & MOs

Info

ID:	327414
PubChem CID:	126689833
Reduced:	NO3C12H13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	292.105922
ΔH_f, kcal/mol:	-190.89
Dipole, Da:	6.18
IP(EA), eV:	-8.57(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aS,8R)-3,8-dihydroxy-2-methoxy-5-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione

Drug info:

PubChemData

Smile

CN1C2=CC(=C(C=C2C(=O)N3CC4=C(CC3C1=O)C=CC(=C4)OC5CCCCO5)OC)O

DOS

IR

Vibrations