Geometry & MOs

Info

ID:	434239
PubChem CID:	135174475
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	447.22704
ΔH_f, kcal/mol:	-84.38
Dipole, Da:	2.5
IP(EA), eV:	-8.87(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bicyclo[2.1.1]hexanyl)-5-methyl-6-[4-[(2-methyl-1,3-benzoxazol-6-yl)oxy]piperidin-1-yl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(CCC)OC1=CC2=C(CN(C2=O)C)C=C1

DOS

IR

Vibrations