Geometry & MOs

Info

ID:	156570
PubChem CID:	56371196
Reduced:	SN2O3C25H28 (1)
Stoich.:	AB2C3D25E28 (1)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	-52.37
Dipole, Da:	2.01
IP(EA), eV:	-8.21(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC2CCCCN2C(=O)C3=CN=C(S3)C4=CC=CC=C4)OC

DOS

IR

Vibrations