Geometry & MOs

Info

ID:	136439
PubChem CID:	52043482
Reduced:	FON4C28H31 (1)
Stoich.:	ABC4D28E31 (1)
Weight, g/mol:	426.241962
ΔH_f, kcal/mol:	-38.84
Dipole, Da:	6.74
IP(EA), eV:	-8.68(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(N1C(=O)[C@@H]3CCCN(C3)C4=NC=CC(=N4)C5=C(C=CC(=C5)C)C)C=CC(=C2)F

DOS

IR

Vibrations