Geometry & MOs

Info

ID:	364239
PubChem CID:	127314543
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	352.153541
ΔH_f, kcal/mol:	-28.84
Dipole, Da:	3.07
IP(EA), eV:	-9.41(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl-[1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)C(=O)NCC(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations