Geometry & MOs

Info

ID:	415981
PubChem CID:	135088986
Reduced:	N2O3C17H30 (1)
Stoich.:	A2B3C17D30 (1)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	-172.12
Dipole, Da:	3.69
IP(EA), eV:	-8.57(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azepan-1-ylmethyl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)N2CCC[C@@]3(C2)CCC[C@H]3O

DOS

IR

Vibrations