Geometry & MOs

Info

ID:	354880
PubChem CID:	127287640
Reduced:	O3N5C13H23 (1)
Stoich.:	A3B5C13D23 (1)
Weight, g/mol:	391.25834
ΔH_f, kcal/mol:	-83.62
Dipole, Da:	3.79
IP(EA), eV:	-8.91(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-ylamino]ethanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C(C)(C)NC(=O)NCC2CN(CCO2)C

DOS

IR

Vibrations