Geometry & MOs

Info

ID:	336375
PubChem CID:	127255382
Reduced:	ON3C20H29 (1)
Stoich.:	AB3C20D29 (1)
Weight, g/mol:	348.108814
ΔH_f, kcal/mol:	-33.42
Dipole, Da:	5.3
IP(EA), eV:	-8.69(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-(1-aminoethyl)-2-methoxy-5-nitrophenoxy]butanoate;hydrochloride

Drug info:

PubChemData

Smile

C1CCC(CC1)N2CNC(=O)C23CCN(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations