Geometry & MOs

Info

ID:	370057
PubChem CID:	127337306
Reduced:	ON5C23H31 (1)
Stoich.:	AB5C23D31 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	13.01
Dipole, Da:	2.09
IP(EA), eV:	-8.62(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[cyclopropyl-(4-methylphenyl)methyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CN(C1CCCN(C1)C2=NN=CC=C2)C(=O)NCC3(CCCC3)C4=CC=CC=C4

DOS

IR

Vibrations