Geometry & MOs

Info

ID:	410484
PubChem CID:	135083282
Reduced:	N2O2C18H29 (1)
Stoich.:	A2B2C18D29 (1)
Weight, g/mol:	287.05605
ΔH_f, kcal/mol:	-59.75
Dipole, Da:	2.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757976
Charge, e:	0

Chem-info

IUPAC name:

O-[(E)-4-(3-chlorophenyl)but-2-enyl]hydroxylamine;oxalic acid

Drug info:

PubChemData

Smile

CC(C)[C@H](C1=CC=CC=C1)N(C(C)(C)CCC(=O)N(C)C)[O]

DOS

IR

Vibrations