Geometry & MOs

Info

ID:	140105
PubChem CID:	52648414
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	366.140199
ΔH_f, kcal/mol:	-67.45
Dipole, Da:	3.54
IP(EA), eV:	-8.84(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(3,4-dimethylphenoxy)pyridin-4-yl]methyl]-3-thiophen-3-ylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OC2=NC=CC(=C2)CNC(=O)CCC(C)C)C

DOS

IR

Vibrations