Geometry & MOs

Info

ID:	414721
PubChem CID:	135087680
Reduced:	OSN5C18H23 (1)
Stoich.:	ABC5D18E23 (1)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	27.86
Dipole, Da:	3.24
IP(EA), eV:	-9.02(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CN=CN1)C(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations