Geometry & MOs

Info

ID:	445725
PubChem CID:	135269114
Reduced:	N4O5C18H20 (1)
Stoich.:	A4B5C18D20 (1)
Weight, g/mol:	244.137577
ΔH_f, kcal/mol:	-139.74
Dipole, Da:	6.05
IP(EA), eV:	-9.28(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(4-fluorophenyl)methyl]-1-(2-methylphenyl)methanediamine

Drug info:

PubChemData

Smile

CCCN1C2=C(C(=O)N(C1=O)CCCO)NC(=N2)OC3=CC=CC(=C3)C=O

DOS

IR

Vibrations