Geometry & MOs

Info

ID:	398717
PubChem CID:	135035021
Reduced:	OC4H5N5 (1)
Stoich.:	AB4C5D5 (1)
Weight, g/mol:	377.09904
ΔH_f, kcal/mol:	52.1
Dipole, Da:	4.52
IP(EA), eV:	-9.98(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'S,9'R,10'R)-12'-bromo-17'-methylspiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene]

Drug info:

PubChemData

Smile

CC(=O)NC1=NN=CN=N1

DOS

IR

Vibrations