Geometry & MOs

Info

ID:	81360
PubChem CID:	49854640
Reduced:	ClO3N4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-77.05
Dipole, Da:	5.14
IP(EA), eV:	-9.18(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C2=C1C=C(C=C2)Cl)C(=O)CC3=NC(=O)C=C(N3)N4CCOCC4

DOS

IR

Vibrations