Geometry & MOs

Info

ID:	243704
PubChem CID:	99234103
Reduced:	SN3O5C23H35 (1)
Stoich.:	AB3C5D23E35 (1)
Weight, g/mol:	392.242356
ΔH_f, kcal/mol:	-227.35
Dipole, Da:	7.4
IP(EA), eV:	-9.06(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-(1-butyl-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)[C@@H]2CCCCN2S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations