Geometry & MOs

Info

ID:	85371
PubChem CID:	49874569
Reduced:	NO4C10H11 (1)
Stoich.:	AB4C10D11 (1)
Weight, g/mol:	194.057909
ΔH_f, kcal/mol:	-67.55
Dipole, Da:	8.96
IP(EA), eV:	-10.13(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde

Drug info:

PubChemData

Smile

CCC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC

DOS

IR

Vibrations