Geometry & MOs

Info

ID:	366625
PubChem CID:	127320154
Reduced:	O3N5C17H23 (1)
Stoich.:	A3B5C17D23 (1)
Weight, g/mol:	371.232125
ΔH_f, kcal/mol:	-45.49
Dipole, Da:	7.17
IP(EA), eV:	-9.36(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CC(=O)N2CCC(CC2)CNC(=O)C3=CN(N=C3)C

DOS

IR

Vibrations