Geometry & MOs

Info

ID:	431568
PubChem CID:	135171656
Reduced:	N2O5C22H34 (1)
Stoich.:	A2B5C22D34 (1)
Weight, g/mol:	449.09502
ΔH_f, kcal/mol:	-159.12
Dipole, Da:	6.25
IP(EA), eV:	-9.28(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3-acetyl-5-bromo-6-(cyclopropylcarbamoylamino)indol-1-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)(C)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)[N+](=O)[O-]

DOS

IR

Vibrations