Geometry & MOs

Info

ID:	291794
PubChem CID:	113524714
Reduced:	BrSO2N3C12H12 (1)
Stoich.:	ABC2D3E12F12 (1)
Weight, g/mol:	319.06841
ΔH_f, kcal/mol:	-32.38
Dipole, Da:	6.11
IP(EA), eV:	-9.46(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-(1-phenylethyl)-2-propan-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)Br)NC2=CC=C(C=C2)S(=O)(=O)C

DOS

IR

Vibrations