Geometry & MOs

Info

ID:	289840
PubChem CID:	104378338
Reduced:	N2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	276.124961
ΔH_f, kcal/mol:	38.26
Dipole, Da:	0.49
IP(EA), eV:	-9.06(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-cyclopropyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

C1CC1NCCNCCC2=CC=CC=C2

DOS

IR

Vibrations