Geometry & MOs

Info

ID:	364178
PubChem CID:	127314474
Reduced:	FN2O2C17H23 (1)
Stoich.:	AB2C2D17E23 (1)
Weight, g/mol:	362.166414
ΔH_f, kcal/mol:	-102.78
Dipole, Da:	2.26
IP(EA), eV:	-9.49(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxothian-4-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1(COC1)CNC(=O)NCC2(CCC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations