Geometry & MOs

Info

ID:	402464
PubChem CID:	135056060
Reduced:	NSO2C21H25 (1)
Stoich.:	ABC2D21E25 (1)
Weight, g/mol:	233.105193
ΔH_f, kcal/mol:	-43.38
Dipole, Da:	1.78
IP(EA), eV:	-8.52(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2R)-1-nitro-2-phenylcyclopropyl]butan-1-one

Drug info:

PubChemData

Smile

C[C@]1(CN(C[C@H]1CSC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations