Geometry & MOs

Info

ID:	147240
PubChem CID:	53786894
Reduced:	NOC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	345.146384
ΔH_f, kcal/mol:	-75.59
Dipole, Da:	5.0
IP(EA), eV:	-9.07(1.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-cyclopropyl-5-(17-methyl-2,4,11-triaza-8-azoniatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaen-8-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1CC=C2[C@H](C1C)CCC3[C@@]2(CCC(=O)N3C)C

DOS

IR

Vibrations