Geometry & MOs

Info

ID:	289844
PubChem CID:	104378885
Reduced:	FN2C14H23 (1)
Stoich.:	AB2C14D23 (1)
Weight, g/mol:	302.07939
ΔH_f, kcal/mol:	-53.7
Dipole, Da:	1.71
IP(EA), eV:	-8.86(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-3-fluorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CNCCNC(C)(C)C)F

DOS

IR

Vibrations