Geometry & MOs

Info

ID:	168940
PubChem CID:	75043514
Reduced:	Cl2N3O3C31H41 (1)
Stoich.:	A2B3C3D31E41 (1)
Weight, g/mol:	541.226283
ΔH_f, kcal/mol:	-123.81
Dipole, Da:	7.09
IP(EA), eV:	-8.91(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-[5-[3-(3,4-dichlorophenyl)prop-2-enoylamino]pentyl]piperidin-4-yl]ethyl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=C(C=C1)C(=O)NC2CCN(C2)CCCCCNC(=O)C=CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations