Geometry & MOs

Info

ID:	370159
PubChem CID:	127337614
Reduced:	ON2C9H15 (2)
Stoich.:	AB2C9D15 (2)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	-93.89
Dipole, Da:	3.45
IP(EA), eV:	-9.02(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[1-(oxolan-2-yl)propan-2-yl]-1-(1-pyridazin-3-ylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NC(C)CC3CCCO3

DOS

IR

Vibrations