Geometry & MOs

Info

ID:	202573
PubChem CID:	79689851
Reduced:	N2C19H24 (1)
Stoich.:	A2B19C24 (1)
Weight, g/mol:	264.082954
ΔH_f, kcal/mol:	48.12
Dipole, Da:	2.85
IP(EA), eV:	-8.27(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(3-fluoro-5-methylphenyl)-5-propylpyrimidine

Drug info:

PubChemData

Smile

CC(C)(CN)C1=CC=C(C=C1)N2CC(C2)C3=CC=CC=C3

DOS

IR

Vibrations