Geometry & MOs

Info

ID:	417687
PubChem CID:	135102496
Reduced:	N2O5C18H24 (1)
Stoich.:	A2B5C18D24 (1)
Weight, g/mol:	423.252192
ΔH_f, kcal/mol:	-197.75
Dipole, Da:	2.29
IP(EA), eV:	-9.11(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)N2CCC(CC2)C(=O)N[C@H]3COC[C@@H]3O

DOS

IR

Vibrations