Geometry & MOs

Info

ID:	383173
PubChem CID:	134974745
Reduced:	PN3H34C38 (1)
Stoich.:	AB3C34D38 (1)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	136.06
Dipole, Da:	4.2
IP(EA), eV:	-8.23(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S)-3-methoxy-2,4-dimethylhept-5-yn-1-ol

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC2=NN=C(C3=CC=CC=C32)C4=C(C=CC5=C4CCCC5)P(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations