Geometry & MOs

Info

ID:	228850
PubChem CID:	87565964
Reduced:	PCl2F2N2O7C31H35 (1)
Stoich.:	AB2C2D2E7F31G35 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-440.88
Dipole, Da:	1.93
IP(EA), eV:	-9.0(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenylmethoxycarbonylamino 4-methylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC(C)OP(=O)(C(C1=CC=C(C=C1)CC(C(=O)NCCCOC2=CC(=C(C=C2)Cl)Cl)NC(=O)OCC3=CC=CC=C3)(F)F)O

DOS

IR

Vibrations