Geometry & MOs

Info

ID:	349630
PubChem CID:	127275782
Reduced:	N2O2C17H24 (1)
Stoich.:	A2B2C17D24 (1)
Weight, g/mol:	258.140199
ΔH_f, kcal/mol:	-89.13
Dipole, Da:	3.11
IP(EA), eV:	-9.15(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(thian-4-yl)-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NC2CCC3=CC=CC=C3C2

DOS

IR

Vibrations