Geometry & MOs

Info

ID:	32019
PubChem CID:	4252998
Reduced:	NO4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	293.132826
ΔH_f, kcal/mol:	-151.0
Dipole, Da:	4.21
IP(EA), eV:	-8.56(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-6-(2-fluorophenyl)-2-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCCCOC(=O)C(C)OC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C

DOS

IR

Vibrations