Geometry & MOs

Info

ID:	356041
PubChem CID:	127291070
Reduced:	N3O5C19H27 (1)
Stoich.:	A3B5C19D27 (1)
Weight, g/mol:	240.183778
ΔH_f, kcal/mol:	-194.42
Dipole, Da:	3.91
IP(EA), eV:	-8.94(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(oxan-3-yl)azepane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)N2CCN(CC2)C(=O)NC3CCCOC3)OC

DOS

IR

Vibrations