Geometry & MOs

Info

ID:	397976
PubChem CID:	135031235
Reduced:	N2O3C24H34 (1)
Stoich.:	A2B3C24D34 (1)
Weight, g/mol:	246.080456
ΔH_f, kcal/mol:	-149.12
Dipole, Da:	4.46
IP(EA), eV:	-8.88(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1C(C2(CCOCC2)C3=CC=CC=C31)C(=O)NC4CCCCC4

DOS

IR

Vibrations