Geometry & MOs

Info

ID:	370098
PubChem CID:	127337414
Reduced:	ClOSN7C15H16 (1)
Stoich.:	ABCD7E15F16 (1)
Weight, g/mol:	369.227709
ΔH_f, kcal/mol:	85.81
Dipole, Da:	6.16
IP(EA), eV:	-9.32(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NN3C=NN=C3C=C2)C(=O)NCC4=CC=C(S4)Cl

DOS

IR

Vibrations