Geometry & MOs

Info

ID:	284596
PubChem CID:	104054704
Reduced:	ClNOC14H14 (1)
Stoich.:	ABCD14E14 (1)
Weight, g/mol:	248.071641
ΔH_f, kcal/mol:	-5.09
Dipole, Da:	4.61
IP(EA), eV:	-8.72(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(4-methoxy-2,5-dimethylphenyl)pyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)C)C2=NC(=CC=C2)Cl

DOS

IR

Vibrations