Geometry & MOs

Info

ID:	370087
PubChem CID:	127337392
Reduced:	ON4C22H30 (1)
Stoich.:	AB4C22D30 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	-23.63
Dipole, Da:	5.44
IP(EA), eV:	-8.88(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NCC3CCCC4=CC=CC=C34

DOS

IR

Vibrations