Geometry & MOs

Info

ID:	370230
PubChem CID:	127337897
Reduced:	O2N7C20H29 (1)
Stoich.:	A2B7C20D29 (1)
Weight, g/mol:	368.23246
ΔH_f, kcal/mol:	-6.31
Dipole, Da:	5.91
IP(EA), eV:	-8.43(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N3CCCC(C3)CC4=NOC(=N4)C

DOS

IR

Vibrations