Geometry & MOs

Info

ID:	37724
PubChem CID:	8023674
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	350.13789
ΔH_f, kcal/mol:	-61.69
Dipole, Da:	2.42
IP(EA), eV:	-9.11(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=CC=CC=C2N1CC(=O)NCCOC)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations