Geometry & MOs

Info

ID:	370104
PubChem CID:	127337436
Reduced:	ClOSN4C17H23 (1)
Stoich.:	ABCD4E17F23 (1)
Weight, g/mol:	357.252861
ΔH_f, kcal/mol:	-6.06
Dipole, Da:	6.66
IP(EA), eV:	-9.12(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NCCC3=CC=C(S3)Cl

DOS

IR

Vibrations