Geometry & MOs

Info

ID:	370142
PubChem CID:	127337515
Reduced:	FON4C20H25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	397.217698
ΔH_f, kcal/mol:	-61.16
Dipole, Da:	6.2
IP(EA), eV:	-9.05(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-(oxan-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NC3CCC4=C3C=CC=C4F

DOS

IR

Vibrations