Geometry & MOs

Info

ID:	81464
PubChem CID:	49854757
Reduced:	O3N5C23H31 (1)
Stoich.:	A3B5C23D31 (1)
Weight, g/mol:	341.148789
ΔH_f, kcal/mol:	-76.63
Dipole, Da:	2.56
IP(EA), eV:	-8.74(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN(CC)CC1CN(C2=CC=CC=C12)C(=O)CC3=NC(=O)C=C(N3)N4CCOCC4

DOS

IR

Vibrations