Geometry & MOs

Info

ID:	370009
PubChem CID:	127337155
Reduced:	O3N4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	346.24811
ΔH_f, kcal/mol:	-102.88
Dipole, Da:	3.76
IP(EA), eV:	-8.71(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(2-piperidin-1-ylethyl)urea

Drug info:

PubChemData

Smile

CC(C)(C)CC1=NC2=C(O1)C=CC(=C2)NC(=O)NCC3CN(CCO3)C

DOS

IR

Vibrations