Geometry & MOs

Info

ID:	439255
PubChem CID:	135229022
Reduced:	SO4N7H19C26 (1)
Stoich.:	AB4C7D19E26 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	13.69
Dipole, Da:	11.32
IP(EA), eV:	-8.97(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(hexylamino)-5-phenylmethoxypyrimidin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)N2C(=CC(=O)N2)NC(=O)NC3=CC=C(C4=CC=CC=C43)OC5=C6C(=NC=C5)NC(=O)C=N6

DOS

IR

Vibrations