Geometry & MOs

Info

ID:	361365
PubChem CID:	127302684
Reduced:	SN2O4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	341.210327
ΔH_f, kcal/mol:	-179.42
Dipole, Da:	9.02
IP(EA), eV:	-9.16(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxan-2-yl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)propanamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC3CCCCO3

DOS

IR

Vibrations