Geometry & MOs

Info

ID:	149880
PubChem CID:	53789560
Reduced:	NPO7H34C36 (1)
Stoich.:	ABC7D34E36 (1)
Weight, g/mol:	456.407964
ΔH_f, kcal/mol:	-218.31
Dipole, Da:	8.83
IP(EA), eV:	-8.23(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-butyl-4-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)piperazin-2-yl]ethanone

Drug info:

PubChemData

Smile

CC([C@@H]1[C@@H](N(C1=O)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)CC(=O)O)OC(=O)C

DOS

IR

Vibrations