Geometry & MOs

Info

ID:	448856
PubChem CID:	135294079
Reduced:	N2C3H7 (2)
Stoich.:	A2B3C7 (2)
Weight, g/mol:	387.207053
ΔH_f, kcal/mol:	21.47
Dipole, Da:	0.71
IP(EA), eV:	-7.78(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(azetidin-3-yl)-3-[(1Z,3Z)-1,4-diamino-5-(cyclopropylmethylamino)-5-oxopenta-1,3-dienyl]-5-fluoro-4-methylbenzamide

Drug info:

PubChemData

Smile

CN/C(=C/C=C(/NC)\N)/N

DOS

IR

Vibrations