Geometry & MOs

Info

ID:	243675
PubChem CID:	99233833
Reduced:	N3O4C22H33 (1)
Stoich.:	A3B4C22D33 (1)
Weight, g/mol:	426.226705
ΔH_f, kcal/mol:	-204.91
Dipole, Da:	3.4
IP(EA), eV:	-9.41(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-(1-benzyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(=O)N[C@H](CC(=O)N1CCC[C@H](C1)CNC(=O)OC(C)(C)C)C2=CC=CC=C2

DOS

IR

Vibrations