Geometry & MOs

Info

ID:	241065
PubChem CID:	93621491
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	342.216809
ΔH_f, kcal/mol:	-53.66
Dipole, Da:	5.27
IP(EA), eV:	-8.68(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCC(=O)N[C@@H]2CCCN(C2)C3=NC=CC=N3

DOS

IR

Vibrations