Geometry & MOs

Info

ID:	370272
PubChem CID:	127337939
Reduced:	O2N5C17H27 (1)
Stoich.:	A2B5C17D27 (1)
Weight, g/mol:	319.200825
ΔH_f, kcal/mol:	-61.26
Dipole, Da:	6.86
IP(EA), eV:	-8.8(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1COCCN1C(=O)NC2CCCN(C2)C3=NN=C(C=C3)C

DOS

IR

Vibrations