Geometry & MOs

Info

ID:	340794
PubChem CID:	127263229
Reduced:	SO3N7C23H25 (1)
Stoich.:	AB3C7D23E25 (1)
Weight, g/mol:	326.147786
ΔH_f, kcal/mol:	-0.13
Dipole, Da:	14.63
IP(EA), eV:	-8.57(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-(1-aminoethyl)-2-methoxy-5-nitrophenoxy]butanoate

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C2=CN=C(C(=N2)N)OC3=CN4C(=C(C(=O)N=C4S3)CC5=CC=CC=C5)O)N

DOS

IR

Vibrations