Geometry & MOs

Info

ID:	366065
PubChem CID:	127319388
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-72.25
Dipole, Da:	3.79
IP(EA), eV:	-8.81(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)NC(=O)C2CC2)NC(=O)C(C)N3CCCCCC3

DOS

IR

Vibrations