Geometry & MOs

Info

ID:	36350
PubChem CID:	8002066
Reduced:	OSN3H13C16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	394.182733
ΔH_f, kcal/mol:	41.3
Dipole, Da:	3.88
IP(EA), eV:	-8.86(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=CC=C3)C#N)C

DOS

IR

Vibrations