Geometry & MOs

Info

ID:	229314
PubChem CID:	87567397
Reduced:	FN3O5C28H32 (1)
Stoich.:	AB3C5D28E32 (1)
Weight, g/mol:	418.189257
ΔH_f, kcal/mol:	-169.52
Dipole, Da:	2.79
IP(EA), eV:	-9.43(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[4-(cyclopropylmethoxy)phenyl]-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)/C(=C/C2=CC=C(C=C2)C=CC(=O)NCCCCCC(=O)NO)/C3=CC=C(C=C3)F

DOS

IR

Vibrations