Geometry & MOs

Info

ID:	188911
PubChem CID:	77783517
Reduced:	ON5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	311.120467
ΔH_f, kcal/mol:	-23.78
Dipole, Da:	5.13
IP(EA), eV:	-8.79(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-(2-amino-3,6-dimethyl-4,5-dihydropyrimidin-6-yl)pyridin-2-yl]thiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CC1(CC(=O)N(C(=N1)N)C)C2CN3CCCCC3=N2

DOS

IR

Vibrations