Geometry & MOs

Info

ID:	423441
PubChem CID:	135119512
Reduced:	N2O3C23H26 (1)
Stoich.:	A2B3C23D26 (1)
Weight, g/mol:	359.206973
ΔH_f, kcal/mol:	-89.56
Dipole, Da:	8.11
IP(EA), eV:	-9.55(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC=CC=C3C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations