Geometry & MOs

Info

ID:	445975
PubChem CID:	135270374
Reduced:	PC19H33 (1)
Stoich.:	AB19C33 (1)
Weight, g/mol:	469.191403
ΔH_f, kcal/mol:	-6.99
Dipole, Da:	1.1
IP(EA), eV:	-8.2(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-[(4-fluorophenyl)methyl-methylamino]phenyl]-2-formyl-3-[[1-(pyridine-4-carbonyl)azetidin-3-yl]amino]prop-2-enenitrile

Drug info:

PubChemData

Smile

CCC(C(C)C1=CC=C(C=C1)P(C)(C)(C)C)C2(CC2)C

DOS

IR

Vibrations