Geometry & MOs

Info

ID:	434009
PubChem CID:	135174160
Reduced:	BrClSN2C19H22 (1)
Stoich.:	ABCD2E19F22 (1)
Weight, g/mol:	361.176658
ΔH_f, kcal/mol:	36.03
Dipole, Da:	2.09
IP(EA), eV:	-8.73(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[4-[2-(3-hydroxy-3-methylbutoxy)-2-methylpropanoyl]piperazin-1-yl]-methoxyphosphoryl]formonitrile

Drug info:

PubChemData

Smile

C1CNCC1CNCC2=CC=C(C=C2)SCC3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations