Geometry & MOs

Info

ID:	370052
PubChem CID:	127337280
Reduced:	ON5C21H37 (1)
Stoich.:	AB5C21D37 (1)
Weight, g/mol:	388.29506
ΔH_f, kcal/mol:	-48.33
Dipole, Da:	5.48
IP(EA), eV:	-8.53(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(dimethylamino)cycloheptyl]methyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NCC3(CCCCCC3)N(C)C

DOS

IR

Vibrations