Geometry & MOs

Info

ID:	218421
PubChem CID:	85089418
Reduced:	O2F3C28H39 (1)
Stoich.:	A2B3C28D39 (1)
Weight, g/mol:	464.282764
ΔH_f, kcal/mol:	-272.05
Dipole, Da:	4.05
IP(EA), eV:	-8.17(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[4-[[4-(5-azatetracyclo[7.2.1.04,11.06,10]dodecan-5-yl)phenyl]methyl]anilino]methyl]phenyl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C2=C1OC(CC2)(C)CCC=C(CCC=C(C)CCC=C(C)C)C(F)(F)F)C)O

DOS

IR

Vibrations