Geometry & MOs

Info

ID:	81169
PubChem CID:	49854426
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	384.179755
ΔH_f, kcal/mol:	-87.49
Dipole, Da:	5.88
IP(EA), eV:	-8.88(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(methoxymethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1CN(C2=CC=CC=C12)C(=O)CC3=NC(=CC(=O)N3C)N4CCOCC4

DOS

IR

Vibrations