Geometry & MOs

Info

ID:	370298
PubChem CID:	127337975
Reduced:	OSN6C19H28 (1)
Stoich.:	ABC6D19E28 (1)
Weight, g/mol:	333.216475
ΔH_f, kcal/mol:	2.4
Dipole, Da:	6.68
IP(EA), eV:	-8.43(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N(C)C(C)C3=C(N=C(S3)C)C

DOS

IR

Vibrations