Geometry & MOs

Info

ID:	364017
PubChem CID:	127313688
Reduced:	O2N5C18H19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	380.148455
ΔH_f, kcal/mol:	-1.06
Dipole, Da:	2.44
IP(EA), eV:	-9.09(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC1NC(=O)NC2=CC=CC(=C2)C(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations