Geometry & MOs

Info

ID:	62690
PubChem CID:	26736219
Reduced:	N3O6H17C21 (1)
Stoich.:	A3B6C17D21 (1)
Weight, g/mol:	317.14495
ΔH_f, kcal/mol:	-78.71
Dipole, Da:	5.84
IP(EA), eV:	-9.92(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxyphenyl)-4-ethyl-5-propylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)OC1=CC=CC=C1C#N)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations