Geometry & MOs

Info

ID:	223645
PubChem CID:	85335358
Reduced:	Cl2N4O4C21H28 (1)
Stoich.:	A2B4C4D21E28 (1)
Weight, g/mol:	471.109202
ΔH_f, kcal/mol:	-159.81
Dipole, Da:	8.68
IP(EA), eV:	-9.31(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-2-[[1-[4-(3,4-dichlorophenyl)phenyl]-2,2,2-trifluoroethyl]amino]-4-methylpentanamide

Drug info:

PubChemData

Smile

CCN1CCN(C(=O)C1=O)CCC(=O)NCC2CN(CCO2)CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations