Geometry & MOs

Info

ID:	205697
PubChem CID:	80137319
Reduced:	FO2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	-57.29
Dipole, Da:	2.57
IP(EA), eV:	-8.7(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methoxyphenyl)-N-propylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC=C(C(=N1)C2=CC3=C(C=C2)OCCO3)F

DOS

IR

Vibrations