Geometry & MOs

Info

ID:	370208
PubChem CID:	127337741
Reduced:	OSN5C18H27 (1)
Stoich.:	ABC5D18E27 (1)
Weight, g/mol:	365.221561
ΔH_f, kcal/mol:	-14.23
Dipole, Da:	7.41
IP(EA), eV:	-8.73(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NC(C)C3=CSC(=N3)CC

DOS

IR

Vibrations