Geometry & MOs

Info

ID:	374180
PubChem CID:	131325129
Reduced:	NOSC12H13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	195.019939
ΔH_f, kcal/mol:	3.9
Dipole, Da:	5.37
IP(EA), eV:	-8.79(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-7-methylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde

Drug info:

PubChemData

Smile

C1CC(CSC1)(C2=CC=CC=C2C#N)O

DOS

IR

Vibrations