Geometry & MOs

Info

ID:	311553
PubChem CID:	126593797
Reduced:	FN3O3C30H32 (1)
Stoich.:	AB3C3D30E32 (1)
Weight, g/mol:	171.137162
ΔH_f, kcal/mol:	-114.59
Dipole, Da:	6.53
IP(EA), eV:	-8.9(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(butylamino)-3-(methylamino)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1C3=CCC(CC3)C(=O)N4CCOCC4)C)C(=CC(=N2)C(=O)NC)C5=CC=CC=C5F

DOS

IR

Vibrations