Geometry & MOs

Info

ID:	289841
PubChem CID:	104378435
Reduced:	N2F4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	238.148141
ΔH_f, kcal/mol:	-167.7
Dipole, Da:	3.9
IP(EA), eV:	-9.22(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-cyclopropyl-N-[(4-fluoro-3-methoxyphenyl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

C1CC1NCCNCC2=C(C=CC(=C2)C(F)(F)F)F

DOS

IR

Vibrations