Geometry & MOs

Info

ID:	149393
PubChem CID:	53789065
Reduced:	FNC27H32 (1)
Stoich.:	ABC27D32 (1)
Weight, g/mol:	147.079647
ΔH_f, kcal/mol:	-8.8
Dipole, Da:	5.22
IP(EA), eV:	-9.35(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethylpyrrolo[3,2-d]pyrimidine

Drug info:

PubChemData

Smile

C1CC(CCC1CCC=CCCF)CCC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations