Geometry & MOs

Info

ID:	291372
PubChem CID:	112162077
Reduced:	IOSN5C18H34 (1)
Stoich.:	ABCD5E18F34 (1)
Weight, g/mol:	366.223118
ΔH_f, kcal/mol:	-26.72
Dipole, Da:	8.24
IP(EA), eV:	-8.02(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[[N-[2-(2,5-difluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CSC(=N1)N(C)C)NCCOC2CCCCCC2.I

DOS

IR

Vibrations