Geometry & MOs

Info

ID:	417987
PubChem CID:	135103220
Reduced:	ON4C19H28 (1)
Stoich.:	AB4C19D28 (1)
Weight, g/mol:	376.178693
ΔH_f, kcal/mol:	-7.7
Dipole, Da:	3.3
IP(EA), eV:	-8.87(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxy-3,5-dimethylphenyl)-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C1=NC(=C(C=C1)C#N)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations