Geometry & MOs

Info

ID:	243857
PubChem CID:	99289406
Reduced:	N2O3C23H28 (1)
Stoich.:	A2B3C23D28 (1)
Weight, g/mol:	370.10842
ΔH_f, kcal/mol:	-113.76
Dipole, Da:	2.21
IP(EA), eV:	-9.17(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-2,3-dihydroindol-1-yl)-[(2R)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

CC[C@@H]([C@H]1CCCN1C(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C4=CC=CC=C4

DOS

IR

Vibrations