Geometry & MOs

Info

ID:	55473
PubChem CID:	17395436
Reduced:	OF3N3C17H24 (1)
Stoich.:	AB3C3D17E24 (1)
Weight, g/mol:	327.140533
ΔH_f, kcal/mol:	-211.95
Dipole, Da:	7.98
IP(EA), eV:	-8.89(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N,3-dimethyl-1-phenylthieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations