Geometry & MOs

Info

ID:	205244
PubChem CID:	80075368
Reduced:	SN4C12H12 (1)
Stoich.:	AB4C12D12 (1)
Weight, g/mol:	256.168797
ΔH_f, kcal/mol:	81.19
Dipole, Da:	3.94
IP(EA), eV:	-8.46(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-methylbenzimidazol-2-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N2CC3=NC=CS3)N

DOS

IR

Vibrations