Geometry & MOs

Info

ID:	349300
PubChem CID:	127275087
Reduced:	SO2N3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	312.241293
ΔH_f, kcal/mol:	-57.6
Dipole, Da:	3.05
IP(EA), eV:	-8.6(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methylcyclohexyl)oxyethyl]-2-(2-methyl-1,4-oxazepan-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC(=O)NC2=NC3=C(S2)CCC3

DOS

IR

Vibrations