Geometry & MOs

Info

ID:	415483
PubChem CID:	135088478
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	403.189592
ΔH_f, kcal/mol:	-51.5
Dipole, Da:	1.95
IP(EA), eV:	-9.1(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)OC)NC2=NN=C(O2)COC

DOS

IR

Vibrations