Geometry & MOs

Info

ID:	334546
PubChem CID:	127253221
Reduced:	N3O8C23H27 (1)
Stoich.:	A3B8C23D27 (1)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	-233.23
Dipole, Da:	3.87
IP(EA), eV:	-8.69(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,9R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-yl]-2-(4-nitroindol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NCCC2=NC(=NO2)CCOC)C3=CC(=C(C=C3)O)OC)O

DOS

IR

Vibrations