Geometry & MOs

Info

ID:	349622
PubChem CID:	127275774
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	252.183778
ΔH_f, kcal/mol:	-104.51
Dipole, Da:	3.48
IP(EA), eV:	-8.54(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCCC1CNC(=O)N2CCCC2C3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations