Geometry & MOs

Info

ID:	281714
PubChem CID:	103914261
Reduced:	ClN2O3C15H23 (1)
Stoich.:	AB2C3D15E23 (1)
Weight, g/mol:	154.110613
ΔH_f, kcal/mol:	-135.6
Dipole, Da:	2.71
IP(EA), eV:	-9.61(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-(prop-2-ynylamino)butanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC(COCC1=CC=CC=C1Cl)O

DOS

IR

Vibrations