Geometry & MOs

Info

ID:	65219
PubChem CID:	29204629
Reduced:	ClN2O3H25C26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	448.15537
ΔH_f, kcal/mol:	-46.38
Dipole, Da:	4.11
IP(EA), eV:	-8.19(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)[C@H](CNC(=O)C2=CC=CC=C2Cl)C3=CNC4=CC=CC=C43)OC

DOS

IR

Vibrations