Geometry & MOs

Info

ID:	370093
PubChem CID:	127337409
Reduced:	N3O3C17H31 (1)
Stoich.:	A3B3C17D31 (1)
Weight, g/mol:	333.216475
ΔH_f, kcal/mol:	-156.61
Dipole, Da:	4.48
IP(EA), eV:	-8.67(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1CCCO1)NC(=O)N2CCN(CC2)CC3CCOCC3

DOS

IR

Vibrations