Geometry & MOs

Info

ID:	433594
PubChem CID:	135173734
Reduced:	FN3O5C21H28 (1)
Stoich.:	AB3C5D21E28 (1)
Weight, g/mol:	453.314398
ΔH_f, kcal/mol:	-196.61
Dipole, Da:	5.36
IP(EA), eV:	-8.76(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(but-1-en-2-ylamino)-2-methylphenyl]-N-[(1E)-1-[(3Z,6Z)-7-ethyl-2-methyl-2H-azocin-5-ylidene]propan-2-yl]-2-methylaniline

Drug info:

PubChemData

Smile

CC(C)(C(C)(C)ONC1=CC=CC(=C1F)NC(=O)C2=NC=C(C=C2)C(OC)OC)O

DOS

IR

Vibrations