Geometry & MOs

Info

ID:	188737
PubChem CID:	77760632
Reduced:	N2O3C6H9 (2)
Stoich.:	A2B3C6D9 (2)
Weight, g/mol:	499.175058
ΔH_f, kcal/mol:	-260.54
Dipole, Da:	1.96
IP(EA), eV:	-10.01(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-phenyl-N'-[4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]propane-1,3-diamine;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)C(CN1C(=O)C2(CCN(CC2)C(=O)O)NC1=O)N

DOS

IR

Vibrations