Geometry & MOs

Info

ID:	370276
PubChem CID:	127337943
Reduced:	O2N5C18H27 (1)
Stoich.:	A2B5C18D27 (1)
Weight, g/mol:	346.24811
ΔH_f, kcal/mol:	-63.82
Dipole, Da:	6.03
IP(EA), eV:	-8.31(-0.08)
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-(2-pyrrolidin-1-ylethyl)urea

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N3C4CCC3CC(C4)O

DOS

IR

Vibrations