Geometry & MOs

Info

ID:	318954
PubChem CID:	126653865
Reduced:	N3O3H23C24 (1)
Stoich.:	A3B3C23D24 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-61.35
Dipole, Da:	7.15
IP(EA), eV:	-8.72(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3-carbamoyl-5-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)indol-1-yl]acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN1C=C(C2=C1C=CC(=C2)C3=CC4=C(C=CC=N4)C=C3)C(=O)N

DOS

IR

Vibrations