Geometry & MOs

Info

ID:	217615
PubChem CID:	85088107
Reduced:	O7H18C21 (1)
Stoich.:	A7B18C21 (1)
Weight, g/mol:	382.165759
ΔH_f, kcal/mol:	-187.26
Dipole, Da:	8.33
IP(EA), eV:	-8.94(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexylmethyl-[[5-(3-nitrophenyl)morpholin-2-yl]methyl]phosphinic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1OC(=C2C=O)C3=CC(=C(C=C3)O)OC)C=CC(=O)OC

DOS

IR

Vibrations