Geometry & MOs

Info

ID:	121524
PubChem CID:	50771952
Reduced:	O2S2N5C15H17 (1)
Stoich.:	A2B2C5D15E17 (1)
Weight, g/mol:	464.289974
ΔH_f, kcal/mol:	11.95
Dipole, Da:	4.16
IP(EA), eV:	-9.12(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-[1-(6-morpholin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CSC1=NNC(=O)C2=CC(=NN21)C3=CC=CS3

DOS

IR

Vibrations