Geometry & MOs

Info

ID:	168939
PubChem CID:	75043483
Reduced:	OF2N3C29H33 (1)
Stoich.:	AB2C3D29E33 (1)
Weight, g/mol:	573.252498
ΔH_f, kcal/mol:	-83.13
Dipole, Da:	6.91
IP(EA), eV:	-8.96(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[5-[3-(3,4-dichlorophenyl)prop-2-enoylamino]pentyl]pyrrolidin-3-yl]-4-hexoxybenzamide

Drug info:

PubChemData

Smile

CC1(CN(CC2=C1C=C(C=C2)C#N)CCC3CCC(CC3)NC(=O)C=CC4=C(C=C(C=C4)F)F)C

DOS

IR

Vibrations