Geometry & MOs

Info

ID:	403057
PubChem CID:	135058553
Reduced:	NO5H9C11 (1)
Stoich.:	AB5C9D11 (1)
Weight, g/mol:	278.107181
ΔH_f, kcal/mol:	-19.19
Dipole, Da:	3.84
IP(EA), eV:	-10.3(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[tert-butyl(phenyl)phosphoryl]-(furan-2-yl)methanol

Drug info:

PubChemData

Smile

CCC12C(C3=C(O1)C=CC(=C3)[N+](=O)[O-])OC2=O

DOS

IR

Vibrations