Geometry & MOs

Info

ID:	123436
PubChem CID:	50847361
Reduced:	FOSN4C20H21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	444.06195
ΔH_f, kcal/mol:	-20.99
Dipole, Da:	2.49
IP(EA), eV:	-8.93(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-methylphenyl)-6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(N=CN=C2S1)N3CCCCCC3)C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations