Geometry & MOs

Info

ID:	133776
PubChem CID:	51588167
Reduced:	ON7C22H29 (1)
Stoich.:	AB7C22D29 (1)
Weight, g/mol:	250.228323
ΔH_f, kcal/mol:	63.42
Dipole, Da:	4.7
IP(EA), eV:	-8.44(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R,7S,8R,14R)-3,13-diaza-1-azoniatetracyclo[12.4.0.02,7.08,13]octadecane

Drug info:

PubChemData

Smile

CN1C=CN=C1[C@H](C2=CC=CC=C2N3CCN(CC3)CC4=CN=C(N=C4)N(C)C)O

DOS

IR

Vibrations