Geometry & MOs

Info

ID:	11780
PubChem CID:	120924
Reduced:	ClON2C22H27 (1)
Stoich.:	ABC2D22E27 (1)
Weight, g/mol:	370.181191
ΔH_f, kcal/mol:	69.95
Dipole, Da:	9.7
IP(EA), eV:	-8.41(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11S,17S)-12-ethylidene-14-propyl-8-aza-14-azoniapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carbaldehyde;chloride

Drug info:

PubChemData

Smile

CCC[N+]12CCC34[C@@H]1C[C@@H](C(=CC)C2)C(=C3NC5=CC=CC=C45)C=O.[Cl-]

DOS

IR

Vibrations