Geometry & MOs

Info

ID:	350279
PubChem CID:	127277357
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	354.216809
ΔH_f, kcal/mol:	-81.19
Dipole, Da:	4.07
IP(EA), eV:	-8.61(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC2=CC(=NN2)NC(=O)C3CCCOC3

DOS

IR

Vibrations