Geometry & MOs

Info

ID:	258921
PubChem CID:	103157423
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	229.131408
ΔH_f, kcal/mol:	-129.82
Dipole, Da:	4.0
IP(EA), eV:	-9.21(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-(2-oxoazepan-1-yl)butanoic acid

Drug info:

PubChemData

Smile

CC(C)(C(=O)N)NCC(CC1CCCC1)O

DOS

IR

Vibrations