Geometry & MOs

Info

ID:	271872
PubChem CID:	103695094
Reduced:	FO2H11C13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	275.199762
ΔH_f, kcal/mol:	-80.86
Dipole, Da:	0.88
IP(EA), eV:	-9.2(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-(4-butan-2-ylpiperazin-1-yl)-2-phenylethanone

Drug info:

PubChemData

Smile

COCC(=O)C1=CC=C(C2=CC=CC=C21)F

DOS

IR

Vibrations