Geometry & MOs

Info

ID:	370313
PubChem CID:	127338013
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	319.200825
ΔH_f, kcal/mol:	-28.13
Dipole, Da:	7.78
IP(EA), eV:	-8.49(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(hydroxymethyl)-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N3CCCC3C4=CC=C(C=C4)OC

DOS

IR

Vibrations