Geometry & MOs

Info

ID:	347176
PubChem CID:	127271717
Reduced:	ON6C22H28 (1)
Stoich.:	AB6C22D28 (1)
Weight, g/mol:	386.214033
ΔH_f, kcal/mol:	44.13
Dipole, Da:	7.29
IP(EA), eV:	-9.18(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)N3CCC(CC3)C4=NN=C5N4C=CC=C5

DOS

IR

Vibrations