Geometry & MOs

Info

ID:	281708
PubChem CID:	103914248
Reduced:	ON3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	168.126263
ΔH_f, kcal/mol:	-31.21
Dipole, Da:	1.67
IP(EA), eV:	-9.6(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(but-3-ynylamino)-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCCC1=CN=CC=C1

DOS

IR

Vibrations