Geometry & MOs

Info

ID:	259039
PubChem CID:	103158066
Reduced:	BrNOC16H24 (1)
Stoich.:	ABCD16E24 (1)
Weight, g/mol:	205.131408
ΔH_f, kcal/mol:	-59.38
Dipole, Da:	4.53
IP(EA), eV:	-8.31(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxypropyl 4-amino-3-methoxybutanoate

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)Br)NCC(CC2CCCC2)O

DOS

IR

Vibrations