Geometry & MOs

Info

ID:	398171
PubChem CID:	135032140
Reduced:	OS2H16C17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	139.099714
ΔH_f, kcal/mol:	11.99
Dipole, Da:	2.19
IP(EA), eV:	-9.0(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,3S)-3-but-3-enylaziridin-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(C2=CC(=CC=C2)O)C3=CC=C(S3)C

DOS

IR

Vibrations