Geometry & MOs

Info

ID:	55496
PubChem CID:	17395460
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	372.198383
ΔH_f, kcal/mol:	-93.32
Dipole, Da:	2.32
IP(EA), eV:	-9.3(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CNC(=O)C1=CC=CC=C1OC2=CC=CC=C2

DOS

IR

Vibrations