Geometry & MOs

Info

ID:	306030
PubChem CID:	125000768
Reduced:	ON6C15H22 (1)
Stoich.:	AB6C15D22 (1)
Weight, g/mol:	377.221561
ΔH_f, kcal/mol:	24.62
Dipole, Da:	4.23
IP(EA), eV:	-8.65(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[2-[6-(dimethylamino)pyridin-2-yl]ethyl]piperidin-1-yl]-(1H-indazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)[C@H]2COCCN2CC3=C(NN=C3)C)NC

DOS

IR

Vibrations