Geometry & MOs

Info

ID:	327745
PubChem CID:	126690950
Reduced:	ON2H38C54 (1)
Stoich.:	AB2C38D54 (1)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	221.55
Dipole, Da:	1.46
IP(EA), eV:	-7.83(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-2-[(1E,3E)-5-methylhexa-1,3,5-trienyl]phenol

Drug info:

PubChemData

Smile

C=CC1=C(OC2=C1C=CC=C2C3=CC=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1)C=C

DOS

IR

Vibrations