Geometry & MOs

Info

ID:	370076
PubChem CID:	127337339
Reduced:	OF3N5C18H26 (1)
Stoich.:	AB3C5D18E26 (1)
Weight, g/mol:	382.294391
ΔH_f, kcal/mol:	-177.13
Dipole, Da:	8.68
IP(EA), eV:	-8.82(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methyl-2-morpholin-4-ylbutyl)-4-(oxan-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCCN(C1)C2=NN=CC=C2)C(=O)NC3CCC(CC3)C(F)(F)F

DOS

IR

Vibrations