Geometry & MOs

Info

ID:	61850
PubChem CID:	26714187
Reduced:	BrN3O5C18H18 (1)
Stoich.:	AB3C5D18E18 (1)
Weight, g/mol:	370.06808
ΔH_f, kcal/mol:	-85.06
Dipole, Da:	5.33
IP(EA), eV:	-9.73(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-bromophenyl)ethyl]-3-(1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)Br)NC(=O)CNC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

DOS

IR

Vibrations