Geometry & MOs

Info

ID:	183844
PubChem CID:	77079468
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	270.136828
ΔH_f, kcal/mol:	-84.54
Dipole, Da:	4.19
IP(EA), eV:	-9.13(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azepan-1-yl-(5-phenyl-1,2-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2CCCCN2C(=O)C3=NNC(=O)CC3

DOS

IR

Vibrations