Geometry & MOs

Info

ID:	148309
PubChem CID:	53787971
Reduced:	O6N7C23H27 (1)
Stoich.:	A6B7C23D27 (1)
Weight, g/mol:	276.055322
ΔH_f, kcal/mol:	-78.44
Dipole, Da:	5.15
IP(EA), eV:	-9.74(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-6H-benzo[b][1,4]benzodioxepin-6-yl)ethanol

Drug info:

PubChemData

Smile

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CC(COC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=NN4

DOS

IR

Vibrations