Geometry & MOs

Info

ID:	370116
PubChem CID:	127337482
Reduced:	ON6C21H36 (1)
Stoich.:	AB6C21D36 (1)
Weight, g/mol:	303.20591
ΔH_f, kcal/mol:	-17.92
Dipole, Da:	6.66
IP(EA), eV:	-8.34(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylcyclopropyl)-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CC1CCCC(C1)(CNC(=O)N(C)C2CCCN(C2)C3=NN=CC=C3)N(C)C

DOS

IR

Vibrations