Geometry & MOs

Info

ID:	158180
PubChem CID:	56463110
Reduced:	FON3C24H28 (1)
Stoich.:	ABC3D24E28 (1)
Weight, g/mol:	400.173311
ΔH_f, kcal/mol:	-30.48
Dipole, Da:	3.52
IP(EA), eV:	-8.43(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]propyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)CCC1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)F)N(C)C4CC4

DOS

IR

Vibrations