Geometry & MOs

Info

ID:	122202
PubChem CID:	50798030
Reduced:	ON6H30C31 (1)
Stoich.:	AB6C30D31 (1)
Weight, g/mol:	341.119798
ΔH_f, kcal/mol:	115.19
Dipole, Da:	3.83
IP(EA), eV:	-8.14(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=NN(C2=C1CN(C(C3=CC=CN32)C4=CC=C(C=C4)N(C)C)C(=O)NC5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations