Geometry & MOs

Info

ID:	243676
PubChem CID:	99233834
Reduced:	N4O4C23H30 (1)
Stoich.:	A4B4C23D30 (1)
Weight, g/mol:	426.226705
ΔH_f, kcal/mol:	-139.88
Dipole, Da:	4.48
IP(EA), eV:	-9.5(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@@H]1CCCN(C1)C(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3

DOS

IR

Vibrations