Geometry & MOs

Info

ID:	382105
PubChem CID:	134973040
Reduced:	NSO2H13C19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	245.105193
ΔH_f, kcal/mol:	-6.88
Dipole, Da:	7.75
IP(EA), eV:	-8.94(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-5-methyl-2-[(4-nitrophenyl)methoxy]bicyclo[3.1.0]hex-2-ene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC4=C(S3)C(=CC(=O)N4)O

DOS

IR

Vibrations