Geometry & MOs

Info

ID:	426862
PubChem CID:	135154192
Reduced:	O3N6C17H20 (1)
Stoich.:	A3B6C17D20 (1)
Weight, g/mol:	376.076075
ΔH_f, kcal/mol:	-19.68
Dipole, Da:	3.72
IP(EA), eV:	-8.75(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)phenyl]methyl]azetidine-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=CN2C(=O)NN=C2N=C1N3CCC(CC3)OC4=CN=C(C=C4)OC

DOS

IR

Vibrations