Geometry & MOs

Info

ID:	224092
PubChem CID:	85338097
Reduced:	O3N4C36H50 (1)
Stoich.:	A3B4C36D50 (1)
Weight, g/mol:	587.298429
ΔH_f, kcal/mol:	-131.19
Dipole, Da:	8.84
IP(EA), eV:	-8.48(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-phenylethyl)-4-[6-(4-piperidin-1-ylpiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)CN1CCCC2=CC=CC=C2C1)NC(=O)C3CCCCC3NC(=O)C4=CC=C(C=C4)N5CCCCC5

DOS

IR

Vibrations