Geometry & MOs

Info

ID:	304409
PubChem CID:	124584313
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	559.31341
ΔH_f, kcal/mol:	4.22
Dipole, Da:	5.33
IP(EA), eV:	-8.89(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,6-dimethylpyrimidin-5-yl)-[4-[(3R)-4-[(1R,2R)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC[C@H]1C(=NC(=NC1=O)NC2=CC=CC=C2)C

DOS

IR

Vibrations