Geometry & MOs

Info

ID:	81463
PubChem CID:	49854756
Reduced:	FN4O5C18H19 (1)
Stoich.:	AB4C5D18E19 (1)
Weight, g/mol:	425.24269
ΔH_f, kcal/mol:	-199.4
Dipole, Da:	5.86
IP(EA), eV:	-9.67(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)F)NC(=O)CC2=NC(=O)C=C(N2)N3CCOCC3

DOS

IR

Vibrations