Geometry & MOs

Info

ID:	439066
PubChem CID:	135228829
Reduced:	ON4C29H36 (1)
Stoich.:	AB4C29D36 (1)
Weight, g/mol:	334.181015
ΔH_f, kcal/mol:	43.15
Dipole, Da:	7.34
IP(EA), eV:	-7.74(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-[(1R)-1-hydroxy-3-[2-[(E)-2-(methylideneamino)ethenyl]-6-phosphanylphenyl]propyl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N3C=C(C(=C)C=C3C2=C1)C(=C)O)C(C)(C)C)C4=CNC(N=C4)NC5CC5

DOS

IR

Vibrations