Geometry & MOs

Info

ID:	143405
PubChem CID:	53204417
Reduced:	O2N4H14C15 (1)
Stoich.:	A2B4C14D15 (1)
Weight, g/mol:	450.208947
ΔH_f, kcal/mol:	27.38
Dipole, Da:	11.44
IP(EA), eV:	-8.76(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(azepane-1-carbonyl)piperidin-1-yl]-7-(3-methylphenyl)-1H-thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC2=NN=C(N21)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations