Geometry & MOs

Info

ID:	308040
PubChem CID:	125312397
Reduced:	BrClO2N5H17C18 (1)
Stoich.:	ABC2D5E17F18 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	28.74
Dipole, Da:	2.59
IP(EA), eV:	-9.08(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3S)-6-methoxy-3H-indol-3-yl]ethyl]-2-phenoxyacetamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=C(C=N2)Br)[C@@H](C3=C4C=CC(=CC4=NC3)Cl)C(=O)O

DOS

IR

Vibrations