Geometry & MOs

Info

ID:	422084
PubChem CID:	135117157
Reduced:	SO2N4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	403.200825
ΔH_f, kcal/mol:	-30.77
Dipole, Da:	3.48
IP(EA), eV:	-8.63(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

COC1=NC(=NC(=C1)N2CCC3(CC2)C4=C(CCO3)C=CS4)N

DOS

IR

Vibrations