Geometry & MOs

Info

ID:	394130
PubChem CID:	135022393
Reduced:	NO6H17C20 (1)
Stoich.:	AB6C17D20 (1)
Weight, g/mol:	391.98096
ΔH_f, kcal/mol:	-109.5
Dipole, Da:	0.58
IP(EA), eV:	-9.87(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H](C2(C(=O)C3=CC=CC=C3C2=O)OC1O)[N+](=O)[O-])C4=CC=CC=C4

DOS

IR

Vibrations