Geometry & MOs

Info

ID:	333432
PubChem CID:	127251984
Reduced:	ON2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	7.0
Dipole, Da:	4.01
IP(EA), eV:	-9.33(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(4-methoxyphenyl)methyl]pyridin-3-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CN=C(C=C2)CC3=CC=CC=C3)C(=O)C4=NNC(=O)C=C4

DOS

IR

Vibrations