Geometry & MOs

Info

ID:	268532
PubChem CID:	103599827
Reduced:	ClO2N6C22H31 (1)
Stoich.:	AB2C6D22E31 (1)
Weight, g/mol:	446.219702
ΔH_f, kcal/mol:	-35.72
Dipole, Da:	5.38
IP(EA), eV:	-8.63(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)NC(=O)C2CCN(CC2)C(=O)C=CC3=C(N(N=C3C)CC(C)C)Cl

DOS

IR

Vibrations