Geometry & MOs

Info

ID:	439209
PubChem CID:	135228974
Reduced:	O4N7H21C28 (1)
Stoich.:	A4B7C21D28 (1)
Weight, g/mol:	286.204513
ΔH_f, kcal/mol:	11.72
Dipole, Da:	10.86
IP(EA), eV:	-9.15(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-2-aminocyclohexyl]-3-[2-[(E)-2-(methylideneamino)ethenyl]phenyl]propan-1-ol

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CN=C2NC1=O)OC3=CC=C(C4=CC=CC=C43)NC(=O)NC5=CC(=O)NN5C6=CC=CC=C6

DOS

IR

Vibrations