Geometry & MOs

Info

ID:	292048
PubChem CID:	114150206
Reduced:	N3O3C12H19 (1)
Stoich.:	A3B3C12D19 (1)
Weight, g/mol:	276.187149
ΔH_f, kcal/mol:	-106.55
Dipole, Da:	2.73
IP(EA), eV:	-8.91(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-methylhexanamide

Drug info:

PubChemData

Smile

CC(CNC1=C(C=CN=C1)C(=O)O)(CN(C)C)O

DOS

IR

Vibrations