Geometry & MOs

Info

ID:	38156
PubChem CID:	8027483
Reduced:	BrN2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	400.06477
ΔH_f, kcal/mol:	-93.0
Dipole, Da:	4.97
IP(EA), eV:	-8.64(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C=CC(=C2)Br)CCNC(=O)OC(C)(C)C

DOS

IR

Vibrations