Geometry & MOs

Info

ID:	43484
PubChem CID:	10321371
Reduced:	ClN2O2C27H27 (1)
Stoich.:	AB2C2D27E27 (1)
Weight, g/mol:	446.088801
ΔH_f, kcal/mol:	3.68
Dipole, Da:	1.7
IP(EA), eV:	-7.86(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylmethyl)-2-(3,5-dichloroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCN3C2=C(CN(C3)CC4=CC=CC=C4Cl)C5=CC=CC=C5)OC

DOS

IR

Vibrations