Geometry & MOs

Info

ID:	285080
PubChem CID:	104096721
Reduced:	NC4H6 (4)
Stoich.:	AB4C6 (4)
Weight, g/mol:	282.067428
ΔH_f, kcal/mol:	53.36
Dipole, Da:	5.02
IP(EA), eV:	-9.22(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-nitro-3-thiomorpholin-4-ylbenzoate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(C)(C)C)NCCN2C=CN=N2

DOS

IR

Vibrations