Geometry & MOs

Info

ID:	349528
PubChem CID:	127275415
Reduced:	N2O2C13H24 (1)
Stoich.:	A2B2C13D24 (1)
Weight, g/mol:	265.142641
ΔH_f, kcal/mol:	-115.78
Dipole, Da:	3.32
IP(EA), eV:	-9.17(1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(1-methyl-6-oxopyridin-3-yl)-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NCC2CCCC2

DOS

IR

Vibrations