Geometry & MOs

Info

ID:	370216
PubChem CID:	127337749
Reduced:	ON4C22H32 (1)
Stoich.:	AB4C22D32 (1)
Weight, g/mol:	349.193632
ΔH_f, kcal/mol:	-32.14
Dipole, Da:	6.49
IP(EA), eV:	-8.75(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NC(C3=CC=CC=C3C)C(C)C

DOS

IR

Vibrations