Geometry & MOs

Info

ID:	372986
PubChem CID:	131308109
Reduced:	N2S2C11H14 (1)
Stoich.:	A2B2C11D14 (1)
Weight, g/mol:	211.96976
ΔH_f, kcal/mol:	52.92
Dipole, Da:	3.85
IP(EA), eV:	-8.85(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-5-bromopyrimidine-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=CC(=NS1)C2=CC=CS2)N

DOS

IR

Vibrations