Geometry & MOs

Info

ID:	349354
PubChem CID:	127275141
Reduced:	N2O2C15H28 (1)
Stoich.:	A2B2C15D28 (1)
Weight, g/mol:	389.096476
ΔH_f, kcal/mol:	-113.87
Dipole, Da:	2.47
IP(EA), eV:	-9.03(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chlorophenyl)-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C(C)N2CCCOC(C2)C

DOS

IR

Vibrations