Geometry & MOs

Info

ID:	347624
PubChem CID:	127272490
Reduced:	O2N5C19H33 (1)
Stoich.:	A2B5C19D33 (1)
Weight, g/mol:	349.247775
ΔH_f, kcal/mol:	-71.11
Dipole, Da:	1.9
IP(EA), eV:	-8.7(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)CN2CCN(CC2)CC3=NN=C(O3)C(C)C)C

DOS

IR

Vibrations