Geometry & MOs

Info

ID:	270997
PubChem CID:	103639263
Reduced:	BrNSO2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	292.072703
ΔH_f, kcal/mol:	-45.34
Dipole, Da:	6.48
IP(EA), eV:	-8.8(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-methyl-N-[2-(4-nitrophenyl)ethyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NS(=O)(=O)C2=CC3=C(CCC3)C=C2

DOS

IR

Vibrations