Geometry & MOs

Info

ID:	419598
PubChem CID:	135108532
Reduced:	ClOSN3C10H16 (1)
Stoich.:	ABCD3E10F16 (1)
Weight, g/mol:	307.194757
ΔH_f, kcal/mol:	-34.36
Dipole, Da:	2.88
IP(EA), eV:	-8.78(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)N[C@@H](CCSC)CO)Cl

DOS

IR

Vibrations