Geometry & MOs

Info

ID:	322264
PubChem CID:	126669567
Reduced:	O2N5C26H33 (1)
Stoich.:	A2B5C26D33 (1)
Weight, g/mol:	475.331111
ΔH_f, kcal/mol:	-6.09
Dipole, Da:	5.56
IP(EA), eV:	-8.84(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-[4-[[(Z)-3-(dimethylamino)-2-(methylideneamino)prop-1-enyl]-methylamino]phenyl]ethyl]piperidin-4-yl]-N-phenylpropanamide

Drug info:

PubChemData

Smile

CCC(=O)N(C1CCN(CC1)CCC2=CC=C(C=C2)N3C=C(N=N3)CCO)C4=CC=CC=C4

DOS

IR

Vibrations