Geometry & MOs

Info

ID:	197528
PubChem CID:	78974699
Reduced:	ON2H16C18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	278.215827
ΔH_f, kcal/mol:	55.51
Dipole, Da:	4.9
IP(EA), eV:	-9.24(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-cyclopropyl-1-(2-fluorophenyl)-1-N-(3-methylbutyl)propane-1,2-diamine

Drug info:

PubChemData

Smile

CN(C1=CC=CC(=C1)C#N)C(=O)C2CC2C3=CC=CC=C3

DOS

IR

Vibrations