Geometry & MOs

Info

ID:	415605
PubChem CID:	135088604
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	444.179755
ΔH_f, kcal/mol:	0.48
Dipole, Da:	1.21
IP(EA), eV:	-8.15(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CN1C=CC2=C1C=C(C=C2)CN3CCC4(CC3)CCO4

DOS

IR

Vibrations