Geometry & MOs

Info

ID:	370296
PubChem CID:	127337969
Reduced:	ON5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	375.263425
ΔH_f, kcal/mol:	3.09
Dipole, Da:	6.14
IP(EA), eV:	-8.46(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1-(oxan-2-ylmethyl)-1-propylurea

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N(C)C3CCC4=CC=CC=C4C3

DOS

IR

Vibrations