Geometry & MOs

Info

ID:	448870
PubChem CID:	135294172
Reduced:	N3C31H45 (1)
Stoich.:	A3B31C45 (1)
Weight, g/mol:	425.283098
ΔH_f, kcal/mol:	31.61
Dipole, Da:	1.26
IP(EA), eV:	-8.22(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3E)-3-[(Z)-but-2-enylidene]-2-methylidene-6-naphthalen-2-ylpyridin-4-yl]-N,N-diethylpiperidin-4-amine

Drug info:

PubChemData

Smile

CCN(CC)C1CCN(CC1)C(C)C(=C)C2=CC=CC=C2N=C(C)C3=CCC4CCCCC4=C3

DOS

IR

Vibrations