Geometry & MOs

Info

ID:	383944
PubChem CID:	134976020
Reduced:	ClNC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	235.069202
ΔH_f, kcal/mol:	52.15
Dipole, Da:	2.53
IP(EA), eV:	-8.91(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(1,3-dioxolan-2-yl)-2-hydroxy-3-nitrobutanoate

Drug info:

PubChemData

Smile

CN(C)CCC(C#N)(C1=CC=CC=C1)/C(=C\Cl)/Cl

DOS

IR

Vibrations