Geometry & MOs

Info

ID:	390678
PubChem CID:	135000341
Reduced:	ISe2N5C24H26 (1)
Stoich.:	AB2C5D24E26 (1)
Weight, g/mol:	223.23
ΔH_f, kcal/mol:	148.45
Dipole, Da:	9.07
IP(EA), eV:	-7.93(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,8S)-3-heptyl-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

Drug info:

PubChemData

Smile

CC[N+]1=C([Se]C2=CC=CC=C21)/C=C/C3=CN=C([Se]3)N=NC4=CC=C(C=C4)N(CC)CC.[I-]

DOS

IR

Vibrations