Geometry & MOs

Info

ID:	413395
PubChem CID:	135086344
Reduced:	BrNO2H12C16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	374.147786
ΔH_f, kcal/mol:	-0.47
Dipole, Da:	3.04
IP(EA), eV:	-8.44(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(Z)-N-acetyloxy-C-ethoxycarbonylcarbonimidoyl]indole-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC(=C2Br)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations