Geometry & MOs

Info

ID:	349287
PubChem CID:	127275074
Reduced:	SN3O4C16H29 (1)
Stoich.:	AB3C4D16E29 (1)
Weight, g/mol:	237.184112
ΔH_f, kcal/mol:	-180.99
Dipole, Da:	4.66
IP(EA), eV:	-9.1(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,4-oxazepane

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC(=O)N2CCN(CC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations