Geometry & MOs

Info

ID:	138134
PubChem CID:	52317038
Reduced:	N3C16H17 (1)
Stoich.:	A3B16C17 (1)
Weight, g/mol:	289.07074
ΔH_f, kcal/mol:	63.65
Dipole, Da:	6.83
IP(EA), eV:	-8.97(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C[C@H](C)NC2=NC=C(C=C2)C#N

DOS

IR

Vibrations