Geometry & MOs

Info

ID:	163481
PubChem CID:	58002673
Reduced:	FO2N5C28H30 (1)
Stoich.:	AB2C5D28E30 (1)
Weight, g/mol:	600.17914
ΔH_f, kcal/mol:	-15.51
Dipole, Da:	3.87
IP(EA), eV:	-9.22(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2CC(CN(C2)C(=O)N3CCC(CC3)C#N)C4=NC(=NO4)C5=CC(=CC=C5)F

DOS

IR

Vibrations