Geometry & MOs

Info

ID:	85749
PubChem CID:	49878698
Reduced:	O3N4C24H26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-56.61
Dipole, Da:	3.42
IP(EA), eV:	-9.44(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-1-methyl-5-piperidin-4-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(N=NC3=C2C=C(C=C3)C)C4=CC=CC=C4

DOS

IR

Vibrations