Geometry & MOs

Info

ID:	421819
PubChem CID:	135116668
Reduced:	N2O3C15H16 (2)
Stoich.:	A2B3C15D16 (2)
Weight, g/mol:	351.140533
ΔH_f, kcal/mol:	-101.36
Dipole, Da:	4.97
IP(EA), eV:	-8.42(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-phenylthiophene-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)N2CCOCCOC3=CC=C(C=C3)C4C5=CC(=C(C=C5CCN4C(=O)C2)OC)OC)C#N

DOS

IR

Vibrations