Geometry & MOs

Info

ID:	84088
PubChem CID:	49864084
Reduced:	PN2O9C19H29 (1)
Stoich.:	AB2C9D19E29 (1)
Weight, g/mol:	360.206245
ΔH_f, kcal/mol:	-417.35
Dipole, Da:	3.97
IP(EA), eV:	-9.24(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2,7-dimethyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)OC)NP(=O)(OC[C@@H]1[C@@H](OC(O1)(C)C)C(=O)NO)OC2=CC=CC=C2

DOS

IR

Vibrations