Geometry & MOs

Info

ID:	307078
PubChem CID:	125267508
Reduced:	N3O4H15C16 (1)
Stoich.:	A3B4C15D16 (1)
Weight, g/mol:	434.13972
ΔH_f, kcal/mol:	-82.89
Dipole, Da:	5.52
IP(EA), eV:	-8.84(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(5-chloro-2H-indol-3-yl)-2-[(2S)-2-(4-methoxynaphthalen-1-yl)pyrrolidin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)CC1=NC2=NN(C(=O)[C@H]2C(=O)C1)C3=CC=CC=C3

DOS

IR

Vibrations