Geometry & MOs

Info

ID:	370085
PubChem CID:	127337386
Reduced:	ON7C20H29 (1)
Stoich.:	AB7C20D29 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	36.53
Dipole, Da:	9.06
IP(EA), eV:	-9.22(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)NC(=O)N3CCN(CC3)C4=NN5C=NN=C5C=C4)C)C

DOS

IR

Vibrations