Geometry & MOs

Info

ID:	38155
PubChem CID:	8027464
Reduced:	NOH11C12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	352.07864
ΔH_f, kcal/mol:	8.42
Dipole, Da:	3.2
IP(EA), eV:	-9.2(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]carbamate

Drug info:

PubChemData

Smile

C=CN1CCCC[C@@H](C1=O)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

DOS

IR

Vibrations