Geometry & MOs

Info

ID:	420229
PubChem CID:	135111946
Reduced:	SO2N7C19H25 (1)
Stoich.:	AB2C7D19E25 (1)
Weight, g/mol:	330.180424
ΔH_f, kcal/mol:	26.29
Dipole, Da:	1.28
IP(EA), eV:	-8.77(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)CCSC2=NN=C(O2)C3=CC=NC=C3

DOS

IR

Vibrations