Geometry & MOs

Info

ID:	351952
PubChem CID:	127282870
Reduced:	SN2O2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	394.218032
ΔH_f, kcal/mol:	-76.14
Dipole, Da:	2.97
IP(EA), eV:	-8.71(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(cyclopentylamino)-1-oxopropan-2-yl]-N-[(3,5-difluorophenyl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCS1)C(=O)NC2CCCC3=C2C=CO3

DOS

IR

Vibrations