Geometry & MOs

Info

ID:	281958
PubChem CID:	103914600
Reduced:	N5C12H19 (1)
Stoich.:	A5B12C19 (1)
Weight, g/mol:	237.139865
ΔH_f, kcal/mol:	58.04
Dipole, Da:	6.73
IP(EA), eV:	-9.02(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNC(C)C2=NC=CN2C

DOS

IR

Vibrations