Geometry & MOs

Info

ID:	416777
PubChem CID:	135090340
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	300.183778
ΔH_f, kcal/mol:	5.6
Dipole, Da:	2.35
IP(EA), eV:	-9.3(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(3-methoxypropyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1CC1(C2=CC=CC=C2)NC(=O)C3=C(ON=C3N4CCOCC4)C5=CC=CC=C5

DOS

IR

Vibrations