Geometry & MOs

Info

ID:	292215
PubChem CID:	114493522
Reduced:	ClNOF2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	246.194343
ΔH_f, kcal/mol:	-147.25
Dipole, Da:	3.98
IP(EA), eV:	-8.6(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-ethyl-2-hydroxybutyl)amino]-N-(2-methoxyethyl)propanamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=C(C=C(C=C1Cl)F)F)O

DOS

IR

Vibrations