Geometry & MOs

Info

ID:	370043
PubChem CID:	127337261
Reduced:	OF3N4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-176.03
Dipole, Da:	6.5
IP(EA), eV:	-8.91(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NC(C)C3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations