Geometry & MOs

Info

ID:	308252
PubChem CID:	125324656
Reduced:	O2N7C17H21 (1)
Stoich.:	A2B7C17D21 (1)
Weight, g/mol:	355.175673
ΔH_f, kcal/mol:	34.39
Dipole, Da:	5.94
IP(EA), eV:	-8.78(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(2H-benzotriazol-5-yl)-1-[(6R)-2-methyl-3-oxo-1,6-dihydropyridazin-6-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)C=C[C@H](N1)N2CCC[C@H](C2)C(=O)NC3=CC4=NNN=C4C=C3

DOS

IR

Vibrations