Geometry & MOs

Info

ID:	44308
PubChem CID:	10502632
Reduced:	N2O3H6C11 (2)
Stoich.:	A2B3C6D11 (2)
Weight, g/mol:	428.173607
ΔH_f, kcal/mol:	0.96
Dipole, Da:	0.68
IP(EA), eV:	-9.61(-2.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl (2R,3aS,8bS)-2,3a,4,8b-tetrahydro-1H-pyrrolo[2,3-b]indole-2,3-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C2C3=C1C4=C5C(=CC(=C6C5=C(C=C4C=C3C(=O)N2)C(=O)N6)[N+](=O)[O-])C)[N+](=O)[O-]

DOS

IR

Vibrations