Geometry & MOs

Info

ID:	361688
PubChem CID:	127304403
Reduced:	O4N5C18H21 (1)
Stoich.:	A4B5C18D21 (1)
Weight, g/mol:	389.217538
ΔH_f, kcal/mol:	-73.49
Dipole, Da:	3.04
IP(EA), eV:	-9.16(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

DOS

IR

Vibrations