Geometry & MOs

Info

ID:	37262
PubChem CID:	8018967
Reduced:	ClN2O3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	373.18017
ΔH_f, kcal/mol:	-61.28
Dipole, Da:	2.34
IP(EA), eV:	-9.7(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3-fluorophenyl)methyl-methylamino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=CC=C1)Cl)NC(=O)COC(=O)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations