Geometry & MOs

Info

ID:	389937
PubChem CID:	134996112
Reduced:	PCl2N2O4C7H15 (1)
Stoich.:	AB2C2D4E7F15 (1)
Weight, g/mol:	220.182715
ΔH_f, kcal/mol:	-198.13
Dipole, Da:	4.92
IP(EA), eV:	-9.81(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6R)-2-butyl-6-hex-1-ynyl-3,6-dihydro-2H-pyran

Drug info:

PubChemData

Smile

CC1C(NP(=O)(O1)N(CCCl)CCCl)OO

DOS

IR

Vibrations