Geometry & MOs

Info

ID:	170160
PubChem CID:	75205086
Reduced:	ClF2N2O3H17C20 (1)
Stoich.:	AB2C2D3E17F20 (1)
Weight, g/mol:	390.230728
ΔH_f, kcal/mol:	-159.11
Dipole, Da:	2.8
IP(EA), eV:	-9.02(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[3-[1-[4-(2-methylpropyl)phenyl]ethylamino]-3-oxoprop-1-enyl]benzamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=C(C=C2)C=CC(=O)NC3=CC(=C(C=C3)OC(F)F)Cl

DOS

IR

Vibrations