Geometry & MOs

Info

ID:	370130
PubChem CID:	127337501
Reduced:	ON5C21H37 (1)
Stoich.:	AB5C21D37 (1)
Weight, g/mol:	388.29506
ΔH_f, kcal/mol:	-57.4
Dipole, Da:	5.42
IP(EA), eV:	-8.46(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(1-pyridazin-3-ylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NCC(C)(C)N3CCCC(C3)C

DOS

IR

Vibrations