Geometry & MOs

Info

ID:	43584
PubChem CID:	10321497
Reduced:	O2N5C26H35 (1)
Stoich.:	A2B5C26D35 (1)
Weight, g/mol:	449.06665
ΔH_f, kcal/mol:	-34.58
Dipole, Da:	5.43
IP(EA), eV:	-7.96(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-cyanoanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)N)C(=O)CCCCCOC3=CC4=C(C=C3)NC=C4CCN

DOS

IR

Vibrations