Geometry & MOs

Info

ID:	375873
PubChem CID:	134221867
Reduced:	ON2F4H26C27 (1)
Stoich.:	AB2C4D26E27 (1)
Weight, g/mol:	145.056135
ΔH_f, kcal/mol:	-200.09
Dipole, Da:	2.96
IP(EA), eV:	-9.58(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(thietan-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CNC(=O)C2=C(C=C(C=C2)/C=C/C(C3=CC(=C(C(=C3)C)F)C)C(F)(F)F)C

DOS

IR

Vibrations