Geometry & MOs

Info

ID:	448848
PubChem CID:	135294010
Reduced:	FN2O3C23H25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	243.11384
ΔH_f, kcal/mol:	-118.02
Dipole, Da:	1.99
IP(EA), eV:	-9.55(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4E)-2,5-diamino-5-chloro-1-(4-methylpiperidin-1-yl)penta-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(C(C)(C)C)NC(=O)C1=CC2=C(C=C1)C3=C(O2)C(=CC(=C3)C(=O)NC4CC4)F

DOS

IR

Vibrations