Geometry & MOs

Info

ID:	218420
PubChem CID:	85089417
Reduced:	N8C27H32 (1)
Stoich.:	A8B27C32 (1)
Weight, g/mol:	464.290215
ΔH_f, kcal/mol:	167.47
Dipole, Da:	8.19
IP(EA), eV:	-8.56(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[8,12-dimethyl-4-(trifluoromethyl)trideca-3,7,11-trienyl]-2,5,8-trimethyl-3,4-dihydrochromen-6-ol

Drug info:

PubChemData

Smile

CCCCC1=NN(C(=N1)CC2=CC=C(C=C2)N)CC3=CC=C(C=C3)C4=CC=CC=C4C5NNNN5

DOS

IR

Vibrations