Geometry & MOs

Info

ID:	349631
PubChem CID:	127275783
Reduced:	SN2O2C12H22 (1)
Stoich.:	AB2C2D12E22 (1)
Weight, g/mol:	346.225643
ΔH_f, kcal/mol:	-111.36
Dipole, Da:	2.3
IP(EA), eV:	-8.74(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-cyclohexyloxyphenyl)methyl]-2-methyl-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NC2CCSCC2

DOS

IR

Vibrations