Geometry & MOs

Info

ID:	55673
PubChem CID:	17395783
Reduced:	OSN5C19H23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	351.115381
ΔH_f, kcal/mol:	69.4
Dipole, Da:	7.25
IP(EA), eV:	-8.24(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CSC1=NN/C(=C/2\C=NC3=CC=CC=C32)/N1C4CC4

DOS

IR

Vibrations