Geometry & MOs

Info

ID:	143327
PubChem CID:	53189935
Reduced:	OSN6C17H18 (1)
Stoich.:	ABC6D17E18 (1)
Weight, g/mol:	318.151433
ΔH_f, kcal/mol:	80.24
Dipole, Da:	5.47
IP(EA), eV:	-8.64(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-4-(dimethylamino)-5-methylthieno[3,4-d]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)NC2=CN(N=C2)C3=NC=NC=C3N4CCCC4

DOS

IR

Vibrations