Geometry & MOs

Info

ID:	368012
PubChem CID:	127326487
Reduced:	FN2O3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	394.294391
ΔH_f, kcal/mol:	-138.89
Dipole, Da:	2.62
IP(EA), eV:	-8.94(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyclohexylbutan-2-yl)-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1OC2=CC=C(C=C2)F)C(=O)NCC3CCOC4=CC=CC=C34

DOS

IR

Vibrations