Geometry & MOs

Info

ID:	370295
PubChem CID:	127337968
Reduced:	ON7C21H31 (1)
Stoich.:	AB7C21D31 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	2.87
Dipole, Da:	7.61
IP(EA), eV:	-8.38(0.01)
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-(1,2,3,4-tetrahydronaphthalen-2-yl)urea

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N3CCC4=C(C3)N=C(N4C)C(C)C

DOS

IR

Vibrations