Geometry & MOs

Info

ID:	416594
PubChem CID:	135089794
Reduced:	ClN2O4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	364.11063
ΔH_f, kcal/mol:	-135.48
Dipole, Da:	5.2
IP(EA), eV:	-9.11(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CN(C[C@]([C@@H]1O)(CC2CC2)C(=O)O)C(=O)C3=CC4=C(N3)C=CC=C4Cl

DOS

IR

Vibrations