Geometry & MOs

Info

ID:	369978
PubChem CID:	127337029
Reduced:	SO2N5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	389.08512
ΔH_f, kcal/mol:	-8.85
Dipole, Da:	3.69
IP(EA), eV:	-8.77(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC

DOS

IR

Vibrations