Geometry & MOs

Info

ID:	334357
PubChem CID:	127252909
Reduced:	O3N4H26C30 (1)
Stoich.:	A3B4C26D30 (1)
Weight, g/mol:	426.19032
ΔH_f, kcal/mol:	-28.36
Dipole, Da:	5.18
IP(EA), eV:	-8.54(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R)-5-nitro-11-[2-(4-pyrrol-1-yloxan-4-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

C1CN(CC2=C1C3=CC=CC=C3N2)C(=O)CCCN4C5C6=CC=CC=C6C(=O)N5C7=CC=CC=C7C4=O

DOS

IR

Vibrations