Geometry & MOs

Info

ID:	172226
PubChem CID:	75481930
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	287.109233
ΔH_f, kcal/mol:	-66.52
Dipole, Da:	8.22
IP(EA), eV:	-9.38(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-propylpyrazol-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)NC(=C1CCC(=O)NCC2CCC2)C)C#N

DOS

IR

Vibrations