Geometry & MOs

Info

ID:	369568
PubChem CID:	127334623
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	358.157581
ΔH_f, kcal/mol:	-39.25
Dipole, Da:	2.2
IP(EA), eV:	-8.59(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-pyridazin-3-ylpiperidin-3-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2(CCCC2)C(=O)NC3CCCN(C3)C4=NN=CC=C4)OC

DOS

IR

Vibrations