Geometry & MOs

Info

ID:	211068
PubChem CID:	80892743
Reduced:	SN2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	308.99353
ΔH_f, kcal/mol:	40.05
Dipole, Da:	2.29
IP(EA), eV:	-8.28(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-bromophenyl)sulfanyl-N-ethylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=CC=C1)SC2=CC3=C(CCC3)C=C2

DOS

IR

Vibrations