Geometry & MOs

Info

ID:	336840
PubChem CID:	127255847
Reduced:	ClN2C10H15 (1)
Stoich.:	AB2C10D15 (1)
Weight, g/mol:	172.999204
ΔH_f, kcal/mol:	-11.91
Dipole, Da:	5.0
IP(EA), eV:	-9.03(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methyl-4-nitropyrimidine

Drug info:

PubChemData

Smile

C1CNCCC1C2=CC=NC=C2.Cl

DOS

IR

Vibrations