Geometry & MOs

Info

ID:	268482
PubChem CID:	103599572
Reduced:	N3O4C25H25 (1)
Stoich.:	A3B4C25D25 (1)
Weight, g/mol:	448.179835
ΔH_f, kcal/mol:	-66.13
Dipole, Da:	5.8
IP(EA), eV:	-8.54(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[4-(4-fluorophenyl)oxan-4-yl]methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=C(C=C2)CNC(=O)C(=CC3=CC=CO3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations