Geometry & MOs

Info

ID:	160838
PubChem CID:	57389946
Reduced:	O4N5C22H27 (1)
Stoich.:	A4B5C22D27 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	-107.36
Dipole, Da:	4.24
IP(EA), eV:	-8.85(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC(=C21)N3CCOCC3)C(=O)CC4=NC(=O)C=C(N4)N5CCOCC5

DOS

IR

Vibrations