Geometry & MOs

Info

ID:	438818
PubChem CID:	135228575
Reduced:	SO4N5C23H25 (1)
Stoich.:	AB4C5D23E25 (1)
Weight, g/mol:	326.272199
ΔH_f, kcal/mol:	-84.71
Dipole, Da:	3.54
IP(EA), eV:	-8.98(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]phenyl]butyl]-N-methylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=O)N2CCC3=CC=CC=C3OC)C(C)(C)C(=O)N)N4C=CC=N4

DOS

IR

Vibrations