Geometry & MOs

Info

ID:	349632
PubChem CID:	127275784
Reduced:	N2O3C20H30 (1)
Stoich.:	A2B3C20D30 (1)
Weight, g/mol:	325.236542
ΔH_f, kcal/mol:	-136.7
Dipole, Da:	5.01
IP(EA), eV:	-8.87(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-methyl-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NCC2=CC=C(C=C2)OC3CCCCC3

DOS

IR

Vibrations