Geometry & MOs

Info

ID:	410358
PubChem CID:	135083153
Reduced:	NOC9H17 (1)
Stoich.:	ABC9D17 (1)
Weight, g/mol:	452.175893
ΔH_f, kcal/mol:	-35.01
Dipole, Da:	1.48
IP(EA), eV:	-9.24(1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[(E)-4-(4-fluorophenyl)but-2-enyl]hydroxylamine;oxalic acid

Drug info:

PubChemData

Smile

CC1(C2CCC1(CN2O)C)C

DOS

IR

Vibrations