Geometry & MOs

Info

ID:	325970
PubChem CID:	126685841
Reduced:	F3N4O4C20H23 (1)
Stoich.:	A3B4C4D20E23 (1)
Weight, g/mol:	208.157563
ΔH_f, kcal/mol:	-313.85
Dipole, Da:	7.0
IP(EA), eV:	-9.4(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyphenyl)pentane-1,2-diamine

Drug info:

PubChemData

Smile

C1CC(CCC1COCCC(F)(F)F)N2C3=C4C=CNC4=NC=C3C(=O)N(C2=O)CO

DOS

IR

Vibrations