Geometry & MOs

Info

ID:	230929
PubChem CID:	87572265
Reduced:	BrNC9H22 (1)
Stoich.:	ABC9D22 (1)
Weight, g/mol:	375.215806
ΔH_f, kcal/mol:	-76.89
Dipole, Da:	8.32
IP(EA), eV:	-9.13(1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(2,3-dihydro-1H-inden-5-yl)-N-[(E)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

Drug info:

PubChemData

Smile

CCCC(CC)C(C)(C)[NH3+].[Br-]

DOS

IR

Vibrations