Geometry & MOs

Info

ID:	334530
PubChem CID:	127253205
Reduced:	N4O5H14C15 (1)
Stoich.:	A4B5C14D15 (1)
Weight, g/mol:	413.181152
ΔH_f, kcal/mol:	-169.97
Dipole, Da:	3.99
IP(EA), eV:	-8.81(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S)-5-nitro-11-[1-(tetrazol-1-yl)cyclohexanecarbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

CN1C(=C(N(C1=O)C)C2=CC=C(C=C2)O)C3C(=O)NC(=O)NC3=O

DOS

IR

Vibrations