Geometry & MOs

Info

ID:	442015
PubChem CID:	135247907
Reduced:	N2O5C20H28 (1)
Stoich.:	A2B5C20D28 (1)
Weight, g/mol:	406.146347
ΔH_f, kcal/mol:	-219.89
Dipole, Da:	3.48
IP(EA), eV:	-9.68(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-oxo-2-piperidin-1-yl-6-propanoylthieno[3,2-d]pyrimidin-3-yl)methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1CCC(N1C(=O)OC(C)(C)C)(C(=O)NCC2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations