Geometry & MOs

Info

ID:	297661
PubChem CID:	117625124
Reduced:	N3O6C44H61 (1)
Stoich.:	A3B6C44D61 (1)
Weight, g/mol:	429.230394
ΔH_f, kcal/mol:	-219.61
Dipole, Da:	3.55
IP(EA), eV:	-8.7(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-1-[4-[[ethyl(2-hydroxyethyl)amino]methyl]phenyl]prop-1-en-2-yl]-4-phenyl-6-[(E)-prop-1-enyl]pyran-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC(=O)C2=C3C=C(C=CC3=NC4=C2C=C(C=C4)OCCCCCCCCN(C)C)OCCCCCCCCN(C)C)C)C(=O)OC

DOS

IR

Vibrations