Geometry & MOs

Info

ID:	259094
PubChem CID:	103158204
Reduced:	ON2C13H26 (1)
Stoich.:	AB2C13D26 (1)
Weight, g/mol:	273.168856
ΔH_f, kcal/mol:	-69.74
Dipole, Da:	3.08
IP(EA), eV:	-8.96(2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[(4-methyl-1,4-diazepane-1-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)NCC(CC2CCCC2)O

DOS

IR

Vibrations