Geometry & MOs

Info

ID:	159768
PubChem CID:	57288730
Reduced:	PF3O3H25C26 (1)
Stoich.:	AB3C3D25E26 (1)
Weight, g/mol:	309.209264
ΔH_f, kcal/mol:	-238.68
Dipole, Da:	9.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753180
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-N,N-dimethyl-6-phenylhex-5-en-3-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(C(=O)C(F)(F)F)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations