Geometry & MOs

Info

ID:	416682
PubChem CID:	135090052
Reduced:	O3N4C23H30 (1)
Stoich.:	A3B4C23D30 (1)
Weight, g/mol:	438.205576
ΔH_f, kcal/mol:	-52.42
Dipole, Da:	5.33
IP(EA), eV:	-8.99(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-[4-(pyridin-4-ylmethylamino)phenyl]methanone

Drug info:

PubChemData

Smile

C1CC2(CCNCC2)CN(C1)C(=O)C3=C(ON=C3N4CCOCC4)C5=CC=CC=C5

DOS

IR

Vibrations