Geometry & MOs

Info

ID:	349626
PubChem CID:	127275778
Reduced:	NOC5H9 (3)
Stoich.:	ABC5D9 (3)
Weight, g/mol:	256.178693
ΔH_f, kcal/mol:	-163.59
Dipole, Da:	6.59
IP(EA), eV:	-9.2(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(oxan-4-ylmethyl)-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NC2CCC(CC2)C(=O)NC

DOS

IR

Vibrations