Geometry & MOs

Info

ID:	129534
PubChem CID:	51072987
Reduced:	NO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	225.118735
ΔH_f, kcal/mol:	-145.64
Dipole, Da:	2.05
IP(EA), eV:	-8.31(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CN(CCOC1=CC=C(C=C1)OC)C(=O)C2CCCO2

DOS

IR

Vibrations