Geometry & MOs

Info

ID:	340612
PubChem CID:	127262623
Reduced:	BrNO2H16C18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	416.24952
ΔH_f, kcal/mol:	-28.31
Dipole, Da:	2.38
IP(EA), eV:	-9.81(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=CC(=CC(=C1)C2=CC=CC=C2Br)C#N

DOS

IR

Vibrations