Geometry & MOs

Info

ID:	416409
PubChem CID:	135089422
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	-65.39
Dipole, Da:	4.43
IP(EA), eV:	-9.35(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C[C@H]([C@@H]1NC(=O)C2=CC=CN2C3CC3)O)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations