Geometry & MOs

Info

ID:	366566
PubChem CID:	127320095
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	348.252526
ΔH_f, kcal/mol:	-14.78
Dipole, Da:	6.62
IP(EA), eV:	-8.32(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3(CCCC3)C4=NOC(=N4)C

DOS

IR

Vibrations