Geometry & MOs

Info

ID:	234803
PubChem CID:	92303524
Reduced:	ClON2C22H25 (1)
Stoich.:	ABC2D22E25 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-23.25
Dipole, Da:	3.05
IP(EA), eV:	-8.4(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)-3-(3-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

CCCNC(=O)C[C@H](C1=CC=CC=C1Cl)C2=CNC3=C(C=CC=C23)CC

DOS

IR

Vibrations