Geometry & MOs

Info

ID:	217576
PubChem CID:	85088035
Reduced:	NPO6C16H22 (1)
Stoich.:	ABC6D16E22 (1)
Weight, g/mol:	377.117392
ΔH_f, kcal/mol:	-313.1
Dipole, Da:	5.41
IP(EA), eV:	-9.97(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;9-(benzimidazol-1-id-2-ylsulfinyl)-4-methoxy-3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

Drug info:

PubChemData

Smile

CCOP(=O)(CC(=O)N1C(C(OC1=O)C2=CC=CC=C2)C)OCC

DOS

IR

Vibrations