Geometry & MOs

Info

ID:	198526
PubChem CID:	79113984
Reduced:	FON2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	249.100108
ΔH_f, kcal/mol:	-73.89
Dipole, Da:	2.57
IP(EA), eV:	-9.3(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-nitrophenyl)-2-pent-4-enoxyethanone

Drug info:

PubChemData

Smile

CCN(C1CCC(CC1)N)C(=O)C=CC2=CC=C(C=C2)F

DOS

IR

Vibrations