Geometry & MOs

Info

ID:	350283
PubChem CID:	127277361
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	303.20591
ΔH_f, kcal/mol:	-96.38
Dipole, Da:	2.25
IP(EA), eV:	-8.61(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-ethylpiperidin-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCC(C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C3CCCC3

DOS

IR

Vibrations