Geometry & MOs

Info

ID:	155783
PubChem CID:	56367543
Reduced:	FO2N5C23H26 (1)
Stoich.:	AB2C5D23E26 (1)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-45.37
Dipole, Da:	3.04
IP(EA), eV:	-9.22(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(E)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3F)N4C=CC=C4

DOS

IR

Vibrations