Geometry & MOs

Info

ID:	399327
PubChem CID:	135039653
Reduced:	NOF6H9C10 (1)
Stoich.:	ABC6D9E10 (1)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	-330.47
Dipole, Da:	6.45
IP(EA), eV:	-9.5(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-methoxyphenyl)hept-4-en-1-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)N

DOS

IR

Vibrations