Geometry & MOs

Info

ID:	415040
PubChem CID:	135088026
Reduced:	N2O4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	357.135638
ΔH_f, kcal/mol:	-134.88
Dipole, Da:	2.61
IP(EA), eV:	-9.0(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[(4-chloro-1-methylindazol-3-yl)methyl]piperidin-3-yl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC(=CC=C3)OCCC4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations