Geometry & MOs

Info

ID:	349536
PubChem CID:	127275423
Reduced:	ON2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-60.95
Dipole, Da:	3.97
IP(EA), eV:	-8.95(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(3-methylpyridin-2-yl)-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NC2=CC(=NN2C)C

DOS

IR

Vibrations