Geometry & MOs

Info

ID:	306268
PubChem CID:	125003402
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	316.164774
ΔH_f, kcal/mol:	-29.87
Dipole, Da:	3.93
IP(EA), eV:	-8.77(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCC[C@H]1C2=CC=CC(=N2)C3=CC(=CC=C3)C(=O)O

DOS

IR

Vibrations