Geometry & MOs

Info

ID:	348846
PubChem CID:	127274494
Reduced:	SN2O4C12H22 (1)
Stoich.:	AB2C4D12E22 (1)
Weight, g/mol:	320.221226
ΔH_f, kcal/mol:	-182.38
Dipole, Da:	5.33
IP(EA), eV:	-9.6(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)CN2CCS(=O)(=O)CC2

DOS

IR

Vibrations