Geometry & MOs

Info

ID:	43083
PubChem CID:	10318375
Reduced:	O7C20H40 (1)
Stoich.:	A7B20C40 (1)
Weight, g/mol:	392.282764
ΔH_f, kcal/mol:	-364.0
Dipole, Da:	3.54
IP(EA), eV:	-10.02(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-(dibutylamino)phenyl]-3-[4-[(dimethylamino)methyl]phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O

DOS

IR

Vibrations