Geometry & MOs

Info

ID:	199987
PubChem CID:	79328757
Reduced:	NF2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	282.113506
ΔH_f, kcal/mol:	-82.58
Dipole, Da:	1.23
IP(EA), eV:	-9.02(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloro-3-nitrophenyl)methylidene]-N-propylbutan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations