Geometry & MOs

Info

ID:	404216
PubChem CID:	135065485
Reduced:	NOH15C21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	261.115364
ΔH_f, kcal/mol:	91.49
Dipole, Da:	2.62
IP(EA), eV:	-8.5(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-6-(3-methylbut-3-en-1-ynyl)-5,6-dihydrobenzo[b][1,4]benzoxazepine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#C[C@@H]2C3=CC=CC=C3OC4=CC=CC=C4N2

DOS

IR

Vibrations