Geometry & MOs

Info

ID:	333952
PubChem CID:	127252504
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	350.185509
ΔH_f, kcal/mol:	-47.81
Dipole, Da:	3.37
IP(EA), eV:	-9.3(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,4R,6aS)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2-cyclopropylpyrimidin-5-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N2CC3(C2)CC(OC3)CC4=CN=CN=C4

DOS

IR

Vibrations