Geometry & MOs

Info

ID:	227759
PubChem CID:	87562406
Reduced:	ClNO3C9H10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	734.10378
ΔH_f, kcal/mol:	-42.75
Dipole, Da:	1.72
IP(EA), eV:	-10.17(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(3-amino-3-oxopropyl)-methylamino]methyl]-6-(4-bromophenyl)-5-(2,4-dichlorophenyl)pyridin-3-yl]-N,2-diethyl-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)OOC(=O)C1=C(C=CN=C1)Cl

DOS

IR

Vibrations