Geometry & MOs

Info

ID:	135959
PubChem CID:	51959215
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	475.06622
ΔH_f, kcal/mol:	-104.95
Dipole, Da:	2.79
IP(EA), eV:	-8.16(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)(C)C)C)C(=O)N[C@@H](C)C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations