Geometry & MOs

Info

ID:	312848
PubChem CID:	126609210
Reduced:	OPN2C10H23 (1)
Stoich.:	ABC2D10E23 (1)
Weight, g/mol:	568.291524
ΔH_f, kcal/mol:	-104.34
Dipole, Da:	6.08
IP(EA), eV:	-8.45(2.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-amino-6-chloro-N-[[5-[1-[4-[[2-(dimethylamino)acetyl]amino]piperidin-1-yl]ethenyl]-1,3-diethylbenzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)CP(=O)(C)C

DOS

IR

Vibrations