Geometry & MOs

Info

ID:	216660
PubChem CID:	85086573
Reduced:	O3N7C10H23 (1)
Stoich.:	A3B7C10D23 (1)
Weight, g/mol:	289.188923
ΔH_f, kcal/mol:	-46.04
Dipole, Da:	3.2
IP(EA), eV:	-9.45(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-hydroxy-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

Drug info:

PubChemData

Smile

C(CCNC(=O)C(CCCN=C(N)N[N+](=O)[O-])N)CN

DOS

IR

Vibrations