Geometry & MOs

Info

ID:	281755
PubChem CID:	103914315
Reduced:	O4N5C11H19 (1)
Stoich.:	A4B5C11D19 (1)
Weight, g/mol:	216.183778
ΔH_f, kcal/mol:	-72.37
Dipole, Da:	5.75
IP(EA), eV:	-10.03(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-hydroxyhexylamino)-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC(CN1C=C(C=N1)[N+](=O)[O-])O

DOS

IR

Vibrations