Geometry & MOs

Info

ID:	260123
PubChem CID:	103181977
Reduced:	N3C18H25 (1)
Stoich.:	A3B18C25 (1)
Weight, g/mol:	300.077993
ΔH_f, kcal/mol:	27.36
Dipole, Da:	2.92
IP(EA), eV:	-8.6(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethyl-4-nitropyridin-2-yl)methylsulfinyl]butanoic acid

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1N)C)CN(CC2=CC=CC=C2)C(C)C

DOS

IR

Vibrations