Geometry & MOs

Info

ID:	150727
PubChem CID:	53790422
Reduced:	NO2C9H17 (2)
Stoich.:	AB2C9D17 (2)
Weight, g/mol:	325.03136
ΔH_f, kcal/mol:	-189.72
Dipole, Da:	2.68
IP(EA), eV:	-8.69(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2-bromopropanoyl)-2,3-dihydroindole-2-carboxylate

Drug info:

PubChemData

Smile

CC1(CC(CC(N1C2(C(=O)CC(N(C2(C)C)O)(C)C)O)(C)C)O)C

DOS

IR

Vibrations