Geometry & MOs

Info

ID:	323616
PubChem CID:	126675586
Reduced:	N6C17H22 (1)
Stoich.:	A6B17C22 (1)
Weight, g/mol:	474.22402
ΔH_f, kcal/mol:	67.0
Dipole, Da:	2.29
IP(EA), eV:	-8.21(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-[[3-[(3R,5S)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-3-yl]oxyphenyl]methyl]pyrazol-4-yl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN=C/C(=C\N)/CC2=CC(=NC(=C2N)N)N

DOS

IR

Vibrations