Geometry & MOs

Info

ID:	448973
PubChem CID:	135294926
Reduced:	O2N5H31C34 (1)
Stoich.:	A2B5C31D34 (1)
Weight, g/mol:	408.258203
ΔH_f, kcal/mol:	103.98
Dipole, Da:	7.99
IP(EA), eV:	-8.45(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(6Z)-8-(5-ethyl-2,4-dimethyl-1H-phosphol-3-yl)-2,6-dimethylnona-6,8-dien-4-yl]phenyl]acetaldehyde

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC3=C(C(=CN3[C@H](C4=CC=CC=C4)C5=CC=CC=N5)C6=CC=C(C=C6)C(=N)OC(C)C)N=C2

DOS

IR

Vibrations