Geometry & MOs

Info

ID:	438952
PubChem CID:	135228713
Reduced:	N3O4C24H29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	312.256549
ΔH_f, kcal/mol:	-117.76
Dipole, Da:	10.4
IP(EA), eV:	-8.66(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]phenyl]butan-1-amine

Drug info:

PubChemData

Smile

CC1C=C(N(N1)C)C2=C(C=C3C(=C2)CC(N4C3=CC(=O)C(=C4)C(=O)O)C(C)(C)C)OC

DOS

IR

Vibrations