Geometry & MOs

Info

ID:	223690
PubChem CID:	85335426
Reduced:	FO4N5C26H26 (1)
Stoich.:	AB4C5D26E26 (1)
Weight, g/mol:	491.218447
ΔH_f, kcal/mol:	-116.05
Dipole, Da:	4.05
IP(EA), eV:	-8.78(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-2-[[1-[4-(9H-fluoren-9-yl)phenyl]-2,2,2-trifluoroethyl]amino]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C=C(C#N)C4=CC=CC=C4)F

DOS

IR

Vibrations