Geometry & MOs

Info

ID:	351121
PubChem CID:	127279679
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	17.82
Dipole, Da:	5.33
IP(EA), eV:	-9.18(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-propylpyrazol-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2(CCCCCC2)NC(=O)C3=CN4C=CN=C4C=C3

DOS

IR

Vibrations