Geometry & MOs

Info

ID:	417740
PubChem CID:	135102630
Reduced:	NO3C17H31 (1)
Stoich.:	AB3C17D31 (1)
Weight, g/mol:	326.149124
ΔH_f, kcal/mol:	-163.83
Dipole, Da:	3.81
IP(EA), eV:	-8.51(1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-(1-methylimidazo[1,2-b]pyrazol-7-yl)methanone

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)CC(C)(C)CC=C)O

DOS

IR

Vibrations